(6-carbamimidoylnaphthalen-2-yl) 4-[3-(2-methoxyethoxy)propoxy]benzoate;(4-carbamimidoylphenyl) 4-[3-(2-methoxyethoxy)propoxy]benzoate;[4-(diaminomethylideneamino)phenyl] 4-[3-(2-methoxyethoxy)propoxy]benzoate;4-hydroxybenzenecarboximidamide;6-hydroxynaphthalene-2-carboximidamide;2-(4-hydroxyphenyl)guanidine;2-(2-methoxyethoxy)ethanol;bis(4-[3-(2-methoxyethoxy)propoxy]benzoyl chloride);methyl 4-hydroxybenzoate

C128H156Cl2N14O32 — CID 161476431

IUPAC(6-carbamimidoylnaphthalen-2-yl) 4-[3-(2-methoxyethoxy)propoxy]benzoate;(4-carbamimidoylphenyl) 4-[3-(2-methoxyethoxy)propoxy]benzoate;[4-(diaminomethylideneamino)phenyl] 4-[3-(2-methoxyethoxy)propoxy]benzoate;4-hydroxybenzenecarboximidamide;6-hydroxynaphthalene-2-carboximidamide;2-(4-hydroxyphenyl)guanidine;2-(2-methoxyethoxy)ethanol;bis(4-[3-(2-methoxyethoxy)propoxy]benzoyl chloride);methyl 4-hydroxybenzoate
SMILESCOC(=O)c1ccc(O)cc1.COCCOCCCOc1ccc(C(=O)Cl)cc1.COCCOCCCOc1ccc(C(=O)Cl)cc1.COCCOCCCOc1ccc(C(=O)Oc2ccc(N=C(N)N)cc2)cc1.COCCOCCO.NC(N)=Nc1ccc(O)cc1.[H]/N=C(\N)c1ccc(O)cc1.[H]/N=C(\N)c1ccc(OC(=O)c2ccc(OCCCOCCOC)cc2)cc1.[H]/N=C(\N)c1ccc2cc(O)ccc2c1.[H]/N=C(\N)c1ccc2cc(OC(=O)c3ccc(OCCCOCCOC)cc3)ccc2c1
InChIInChI=1S/C24H26N2O5.C20H25N3O5.C20H24N2O5.2C13H17ClO4.C11H10N2O.C8H8O3.C7H9N3O.C7H8N2O.C5H12O3/c1-28-13-14-29-11-2-12-30-21-8-5-17(6-9-21)24(27)31-22-10-7-18-15-20(23(25)26)4-3-19(18)16-22;1-25-13-14-26-11-2-12-27-17-7-3-15(4-8-17)19(24)28-18-9-5-16(6-10-18)23-20(21)22;1-24-13-14-25-11-2-12-26-17-7-5-16(6-8-17)20(23)27-18-9-3-15(4-10-18)19(21)22;2*1-16-9-10-17-7-2-8-18-12-5-3-11(4-6-12)13(14)15;12-11(13)9-2-1-8-6-10(14)4-3-7(8)5-9;1-11-8(10)6-2-4-7(9)5-3-6;8-7(9)10-5-1-3-6(11)4-2-5;8-7(9)5-1-3-6(10)4-2-5;1-7-4-5-8-3-2-6/h3-10,15-16H,2,11-14H2,1H3,(H3,25,26);3-10H,2,11-14H2,1H3,(H4,21,22,23);3-10H,2,11-14H2,1H3,(H3,21,22);2*3-6H,2,7-10H2,1H3;1-6,14H,(H3,12,13);2-5,9H,1H3;1-4,11H,(H4,8,9,10);1-4,10H,(H3,8,9);6H,2-5H2,1H3
InChIKeyWDTTUVPJWRZFPN-UHFFFAOYSA-N
MW2473.63 g/mol
LogP17.26
Rot. Bonds60

About (6-carbamimidoylnaphthalen-2-yl) 4-[3-(2-methoxyethoxy)propoxy]benzoate;(4-carbamimidoylphenyl) 4-[3-(2-methoxyethoxy)propoxy]benzoate;[4-(diaminomethylideneamino)phenyl] 4-[3-(2-methoxyethoxy)propoxy]benzoate;4-hydroxybenzenecarboximidamide;6-hydroxynaphthalene-2-carboximidamide;2-(4-hydroxyphenyl)guanidine;2-(2-methoxyethoxy)ethanol;bis(4-[3-(2-methoxyethoxy)propoxy]benzoyl chloride);methyl 4-hydroxybenzoate

(6-carbamimidoylnaphthalen-2-yl) 4-[3-(2-methoxyethoxy)propoxy]benzoate;(4-carbamimidoylphenyl) 4-[3-(2-methoxyethoxy)propoxy]benzoate;[4-(diaminomethylideneamino)phenyl] 4-[3-(2-methoxyethoxy)propoxy]benzoate;4-hydroxybenzenecarboximidamide;6-hydroxynaphthalene-2-carboximidamide;2-(4-hydroxyphenyl)guanidine;2-(2-methoxyethoxy)ethanol;bis(4-[3-(2-methoxyethoxy)propoxy]benzoyl chloride);methyl 4-hydroxybenzoate (PubChem CID 161476431) has the molecular formula C128H156Cl2N14O32 and a molecular weight of 2473.63 g/mol. Its IUPAC name is (6-carbamimidoylnaphthalen-2-yl) 4-[3-(2-methoxyethoxy)propoxy]benzoate;(4-carbamimidoylphenyl) 4-[3-(2-methoxyethoxy)propoxy]benzoate;[4-(diaminomethylideneamino)phenyl] 4-[3-(2-methoxyethoxy)propoxy]benzoate;4-hydroxybenzenecarboximidamide;6-hydroxynaphthalene-2-carboximidamide;2-(4-hydroxyphenyl)guanidine;2-(2-methoxyethoxy)ethanol;bis(4-[3-(2-methoxyethoxy)propoxy]benzoyl chloride);methyl 4-hydroxybenzoate.

Molecular Properties

Compound Name(6-carbamimidoylnaphthalen-2-yl) 4-[3-(2-methoxyethoxy)propoxy]benzoate;(4-carbamimidoylphenyl) 4-[3-(2-methoxyethoxy)propoxy]benzoate;[4-(diaminomethylideneamino)phenyl] 4-[3-(2-methoxyethoxy)propoxy]benzoate;4-hydroxybenzenecarboximidamide;6-hydroxynaphthalene-2-carboximidamide;2-(4-hydroxyphenyl)guanidine;2-(2-methoxyethoxy)ethanol;bis(4-[3-(2-methoxyethoxy)propoxy]benzoyl chloride);methyl 4-hydroxybenzoate
PubChem CID161476431
Molecular FormulaC128H156Cl2N14O32
Molecular Weight2473.63 g/mol
Exact Mass2471.04
IUPAC Name(6-carbamimidoylnaphthalen-2-yl) 4-[3-(2-methoxyethoxy)propoxy]benzoate;(4-carbamimidoylphenyl) 4-[3-(2-methoxyethoxy)propoxy]benzoate;[4-(diaminomethylideneamino)phenyl] 4-[3-(2-methoxyethoxy)propoxy]benzoate;4-hydroxybenzenecarboximidamide;6-hydroxynaphthalene-2-carboximidamide;2-(4-hydroxyphenyl)guanidine;2-(2-methoxyethoxy)ethanol;bis(4-[3-(2-methoxyethoxy)propoxy]benzoyl chloride);methyl 4-hydroxybenzoate
SMILESCOC(=O)c1ccc(O)cc1.COCCOCCCOc1ccc(C(=O)Cl)cc1.COCCOCCCOc1ccc(C(=O)Cl)cc1.COCCOCCCOc1ccc(C(=O)Oc2ccc(N=C(N)N)cc2)cc1.COCCOCCO.NC(N)=Nc1ccc(O)cc1.[H]/N=C(\N)c1ccc(O)cc1.[H]/N=C(\N)c1ccc(OC(=O)c2ccc(OCCCOCCOC)cc2)cc1.[H]/N=C(\N)c1ccc2cc(O)ccc2c1.[H]/N=C(\N)c1ccc2cc(OC(=O)c3ccc(OCCCOCCOC)cc3)ccc2c1
InChIInChI=1S/C24H26N2O5.C20H25N3O5.C20H24N2O5.2C13H17ClO4.C11H10N2O.C8H8O3.C7H9N3O.C7H8N2O.C5H12O3/c1-28-13-14-29-11-2-12-30-21-8-5-17(6-9-21)24(27)31-22-10-7-18-15-20(23(25)26)4-3-19(18)16-22;1-25-13-14-26-11-2-12-27-17-7-3-15(4-8-17)19(24)28-18-9-5-16(6-10-18)23-20(21)22;1-24-13-14-25-11-2-12-26-17-7-5-16(6-8-17)20(23)27-18-9-3-15(4-10-18)19(21)22;2*1-16-9-10-17-7-2-8-18-12-5-3-11(4-6-12)13(14)15;12-11(13)9-2-1-8-6-10(14)4-3-7(8)5-9;1-11-8(10)6-2-4-7(9)5-3-6;8-7(9)10-5-1-3-6(11)4-2-5;8-7(9)5-1-3-6(10)4-2-5;1-7-4-5-8-3-2-6/h3-10,15-16H,2,11-14H2,1H3,(H3,25,26);3-10H,2,11-14H2,1H3,(H4,21,22,23);3-10H,2,11-14H2,1H3,(H3,21,22);2*3-6H,2,7-10H2,1H3;1-6,14H,(H3,12,13);2-5,9H,1H3;1-4,11H,(H4,8,9,10);1-4,10H,(H3,8,9);6H,2-5H2,1H3
InChIKeyWDTTUVPJWRZFPN-UHFFFAOYSA-N
XLogP17.26
TPSA725.68 Ų
H-Bond Donors17
H-Bond Acceptors38
Rotatable Bonds60
Heavy Atoms176
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002473.63
LogP ≤ 517.26
H-Bond Donors ≤ 517
H-Bond Acceptors ≤ 1038

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acid_halide', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'phenol_ester', 'substructure': 'N/A'}

Analyze (6-carbamimidoylnaphthalen-2-yl) 4-[3-(2-methoxyethoxy)propoxy]benzoate;(4-carbamimidoylphenyl) 4-[3-(2-methoxyethoxy)propoxy]benzoate;[4-(diaminomethylideneamino)phenyl] 4-[3-(2-methoxyethoxy)propoxy]benzoate;4-hydroxybenzenecarboximidamide;6-hydroxynaphthalene-2-carboximidamide;2-(4-hydroxyphenyl)guanidine;2-(2-methoxyethoxy)ethanol;bis(4-[3-(2-methoxyethoxy)propoxy]benzoyl chloride);methyl 4-hydroxybenzoate with MolForge

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Related Compounds

(6-carbamimidoylnaphthalen-2-yl) 4-(2-aminoethoxy)benzoate;(6-carbamimidoylnaphthalen-2-yl) 4-[2-[[5-[2-[2-[[5-[2-[4-(6-carbamimidoylnaphthalen-2-yl)oxycarbonylphenoxy]ethylamino]-5-oxopentanoyl]amino]ethoxy]ethylamino]-5-oxopentanoyl]amino]ethoxy]benzoate;(4-carbamimidoylphenyl) 4-(2-aminoethoxy)benzoate;(4-carbamimidoylphenyl) 4-[2-[[5-[2-[2-[[5-[2-[4-(4-carbamimidoylphenoxy)carbonylphenoxy]ethylamino]-5-oxopentanoyl]amino]ethoxy]ethylamino]-5-oxopentanoyl]amino]ethoxy]benzoate;[4-(diaminomethylideneamino)phenyl] 4-(2-aminoethoxy)benzoate;[4-(diaminomethylideneamino)phenyl] 4-[2-[[5-[2-[2-[[5-[2-[4-[4-(diaminomethylideneamino)phenoxy]carbonylphenoxy]ethylamino]-5-oxopentanoyl]amino]ethoxy]ethylamino]-5-oxopentanoyl]amino]ethoxy]benzoate;(2,5-dioxopyrrolidin-1-yl) 5-[2-[2-[[5-(2,5-dioxopyrrolidin-1-yl)oxy-5-oxopentanoyl]amino]ethoxy]ethylamino]-5-oxopentanoate;2-(2-methoxyethoxy)ethanol;4-[3-(2-methoxyethoxy)propoxy]benzoyl chloride;methyl 4-hydroxybenzoate
CID 163515323
(6-carbamimidoylnaphthalen-2-yl) 4-(diaminomethylideneamino)benzoate
CID 90435507
(6-carbamimidoylnaphthalen-2-yl) 4-(2,2-dimethylpropyl)benzoate;(4-carbamimidoylphenyl) 4-(2,2-dimethylpropyl)benzoate;[4-(diaminomethylideneamino)phenyl] 4-(2,2-dimethylpropyl)benzoate
CID 158359911
(6-carbamimidoylnaphthalen-2-yl) (2E)-2-[[4-(diaminomethylideneamino)phenyl]methylidene]butanoate
CID 13176977
(4-methoxyphenyl) 4-[2-(2-hydroxyethoxy)ethoxy]benzoate
CID 71428362
[6-carbamimidoyl-3-(2,2-dimethylpropyl)naphthalen-2-yl] 4-(diaminomethylideneamino)benzoate
CID 134379665
[4-[[2-[2-(2-methoxyethoxy)ethylamino]-2-oxoethyl]carbamoyl]phenyl] 4-(diaminomethylideneamino)benzoate
CID 20641918
(6-carbamimidoylnaphthalen-2-yl) 4-aminobenzoate
CID 13176884
[4-(diaminomethylideneamino)phenyl] 4-[2-[[5-[2-[2-[[5-[2-[4-[4-(diaminomethylideneamino)phenoxy]carbonylphenoxy]ethylamino]-5-oxopentanoyl]amino]ethoxy]ethylamino]-5-oxopentanoyl]amino]ethoxy]benzoate
CID 162785475
(4-carbamimidoylphenyl) 4-methoxybenzoate;hydrochloride
CID 138961462
4-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]benzoyl chloride
CID 141339492
(6-hydroxynaphthalen-2-yl) 4-hydroxybenzoate
CID 70557557

Frequently Asked Questions

What is the IUPAC name of (6-carbamimidoylnaphthalen-2-yl) 4-[3-(2-methoxyethoxy)propoxy]benzoate;(4-carbamimidoylphenyl) 4-[3-(2-methoxyethoxy)propoxy]benzoate;[4-(diaminomethylideneamino)phenyl] 4-[3-(2-methoxyethoxy)propoxy]benzoate;4-hydroxybenzenecarboximidamide;6-hydroxynaphthalene-2-carboximidamide;2-(4-hydroxyphenyl)guanidine;2-(2-methoxyethoxy)ethanol;bis(4-[3-(2-methoxyethoxy)propoxy]benzoyl chloride);methyl 4-hydroxybenzoate?
The IUPAC name of (6-carbamimidoylnaphthalen-2-yl) 4-[3-(2-methoxyethoxy)propoxy]benzoate;(4-carbamimidoylphenyl) 4-[3-(2-methoxyethoxy)propoxy]benzoate;[4-(diaminomethylideneamino)phenyl] 4-[3-(2-methoxyethoxy)propoxy]benzoate;4-hydroxybenzenecarboximidamide;6-hydroxynaphthalene-2-carboximidamide;2-(4-hydroxyphenyl)guanidine;2-(2-methoxyethoxy)ethanol;bis(4-[3-(2-methoxyethoxy)propoxy]benzoyl chloride);methyl 4-hydroxybenzoate (CID 161476431) is (6-carbamimidoylnaphthalen-2-yl) 4-[3-(2-methoxyethoxy)propoxy]benzoate;(4-carbamimidoylphenyl) 4-[3-(2-methoxyethoxy)propoxy]benzoate;[4-(diaminomethylideneamino)phenyl] 4-[3-(2-methoxyethoxy)propoxy]benzoate;4-hydroxybenzenecarboximidamide;6-hydroxynaphthalene-2-carboximidamide;2-(4-hydroxyphenyl)guanidine;2-(2-methoxyethoxy)ethanol;bis(4-[3-(2-methoxyethoxy)propoxy]benzoyl chloride);methyl 4-hydroxybenzoate.
What is the SMILES notation for (6-carbamimidoylnaphthalen-2-yl) 4-[3-(2-methoxyethoxy)propoxy]benzoate;(4-carbamimidoylphenyl) 4-[3-(2-methoxyethoxy)propoxy]benzoate;[4-(diaminomethylideneamino)phenyl] 4-[3-(2-methoxyethoxy)propoxy]benzoate;4-hydroxybenzenecarboximidamide;6-hydroxynaphthalene-2-carboximidamide;2-(4-hydroxyphenyl)guanidine;2-(2-methoxyethoxy)ethanol;bis(4-[3-(2-methoxyethoxy)propoxy]benzoyl chloride);methyl 4-hydroxybenzoate?
The canonical SMILES for (6-carbamimidoylnaphthalen-2-yl) 4-[3-(2-methoxyethoxy)propoxy]benzoate;(4-carbamimidoylphenyl) 4-[3-(2-methoxyethoxy)propoxy]benzoate;[4-(diaminomethylideneamino)phenyl] 4-[3-(2-methoxyethoxy)propoxy]benzoate;4-hydroxybenzenecarboximidamide;6-hydroxynaphthalene-2-carboximidamide;2-(4-hydroxyphenyl)guanidine;2-(2-methoxyethoxy)ethanol;bis(4-[3-(2-methoxyethoxy)propoxy]benzoyl chloride);methyl 4-hydroxybenzoate is COC(=O)c1ccc(O)cc1.COCCOCCCOc1ccc(C(=O)Cl)cc1.COCCOCCCOc1ccc(C(=O)Cl)cc1.COCCOCCCOc1ccc(C(=O)Oc2ccc(N=C(N)N)cc2)cc1.COCCOCCO.NC(N)=Nc1ccc(O)cc1.[H]/N=C(\N)c1ccc(O)cc1.[H]/N=C(\N)c1ccc(OC(=O)c2ccc(OCCCOCCOC)cc2)cc1.[H]/N=C(\N)c1ccc2cc(O)ccc2c1.[H]/N=C(\N)c1ccc2cc(OC(=O)c3ccc(OCCCOCCOC)cc3)ccc2c1.
What is the InChIKey of (6-carbamimidoylnaphthalen-2-yl) 4-[3-(2-methoxyethoxy)propoxy]benzoate;(4-carbamimidoylphenyl) 4-[3-(2-methoxyethoxy)propoxy]benzoate;[4-(diaminomethylideneamino)phenyl] 4-[3-(2-methoxyethoxy)propoxy]benzoate;4-hydroxybenzenecarboximidamide;6-hydroxynaphthalene-2-carboximidamide;2-(4-hydroxyphenyl)guanidine;2-(2-methoxyethoxy)ethanol;bis(4-[3-(2-methoxyethoxy)propoxy]benzoyl chloride);methyl 4-hydroxybenzoate?
The InChIKey is WDTTUVPJWRZFPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N2O5.C20H25N3O5.C20H24N2O5.2C13H17ClO4.C11H10N2O.C8H8O3.C7H9N3O.C7H8N2O.C5H12O3/c1-28-13-14-29-11-2-12-30-21-8-5-17(6-9-21)24(27)31-22-10-7-18-15-20(23(25)26)4-3-19(18)16-22;1-25-13-14-26-11-2-12-27-17-7-3-15(4-8-17)19(24)28-18-9-5-16(6-10-18)23-20(21)22;1-24-13-14-25-11-2-12-26-17-7-5-16(6-8-17)20(23)27-18-9-3-15(4-10-18)19(21)22;2*1-16-9-10-17-7-2-8-18-12-5-3-11(4-6-12)13(14)15;12-11(13)9-2-1-8-6-10(14)4-3-7(8)5-9;1-11-8(10)6-2-4-7(9)5-3-6;8-7(9)10-5-1-3-6(11)4-2-5;8-7(9)5-1-3-6(10)4-2-5;1-7-4-5-8-3-2-6/h3-10,15-16H,2,11-14H2,1H3,(H3,25,26);3-10H,2,11-14H2,1H3,(H4,21,22,23);3-10H,2,11-14H2,1H3,(H3,21,22);2*3-6H,2,7-10H2,1H3;1-6,14H,(H3,12,13);2-5,9H,1H3;1-4,11H,(H4,8,9,10);1-4,10H,(H3,8,9);6H,2-5H2,1H3.
What are the key properties of (6-carbamimidoylnaphthalen-2-yl) 4-[3-(2-methoxyethoxy)propoxy]benzoate;(4-carbamimidoylphenyl) 4-[3-(2-methoxyethoxy)propoxy]benzoate;[4-(diaminomethylideneamino)phenyl] 4-[3-(2-methoxyethoxy)propoxy]benzoate;4-hydroxybenzenecarboximidamide;6-hydroxynaphthalene-2-carboximidamide;2-(4-hydroxyphenyl)guanidine;2-(2-methoxyethoxy)ethanol;bis(4-[3-(2-methoxyethoxy)propoxy]benzoyl chloride);methyl 4-hydroxybenzoate?
(6-carbamimidoylnaphthalen-2-yl) 4-[3-(2-methoxyethoxy)propoxy]benzoate;(4-carbamimidoylphenyl) 4-[3-(2-methoxyethoxy)propoxy]benzoate;[4-(diaminomethylideneamino)phenyl] 4-[3-(2-methoxyethoxy)propoxy]benzoate;4-hydroxybenzenecarboximidamide;6-hydroxynaphthalene-2-carboximidamide;2-(4-hydroxyphenyl)guanidine;2-(2-methoxyethoxy)ethanol;bis(4-[3-(2-methoxyethoxy)propoxy]benzoyl chloride);methyl 4-hydroxybenzoate has a molecular weight of 2473.63 g/mol, XLogP of 17.26, 60 rotatable bonds, 17 hydrogen bond donors, and 38 hydrogen bond acceptors.
Where does this data come from?
All data for (6-carbamimidoylnaphthalen-2-yl) 4-[3-(2-methoxyethoxy)propoxy]benzoate;(4-carbamimidoylphenyl) 4-[3-(2-methoxyethoxy)propoxy]benzoate;[4-(diaminomethylideneamino)phenyl] 4-[3-(2-methoxyethoxy)propoxy]benzoate;4-hydroxybenzenecarboximidamide;6-hydroxynaphthalene-2-carboximidamide;2-(4-hydroxyphenyl)guanidine;2-(2-methoxyethoxy)ethanol;bis(4-[3-(2-methoxyethoxy)propoxy]benzoyl chloride);methyl 4-hydroxybenzoate is sourced from PubChem (CID 161476431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).