4-[[4-[2-[4-[[2-hydroxy-3-[3-(methylamino)propylcarbamoyl]naphthalen-1-yl]diazenyl]phenyl]ethyl]phenyl]diazenyl]-3-methyl-N-[3-(methylamino)propyl]naphthalene-2-carboxamide

C45H48N8O3 — CID 142124211

IUPAC4-[[4-[2-[4-[[2-hydroxy-3-[3-(methylamino)propylcarbamoyl]naphthalen-1-yl]diazenyl]phenyl]ethyl]phenyl]diazenyl]-3-methyl-N-[3-(methylamino)propyl]naphthalene-2-carboxamide
SMILESCNCCCNC(=O)c1cc2ccccc2c(/N=N/c2ccc(CCc3ccc(/N=N/c4c(O)c(C(=O)NCCCNC)cc5ccccc45)cc3)cc2)c1C
InChIInChI=1S/C45H48N8O3/c1-30-39(44(55)48-26-8-24-46-2)28-33-10-4-6-12-37(33)41(30)52-50-35-20-16-31(17-21-35)14-15-32-18-22-36(23-19-32)51-53-42-38-13-7-5-11-34(38)29-40(43(42)54)45(56)49-27-9-25-47-3/h4-7,10-13,16-23,28-29,46-47,54H,8-9,14-15,24-27H2,1-3H3,(H,48,55)(H,49,56)/b52-50+,53-51+
InChIKeyUHRVEYCINWVFQW-NMWXCNFPSA-N
MW748.93 g/mol
LogP9.30
Rot. Bonds17

About 4-[[4-[2-[4-[[2-hydroxy-3-[3-(methylamino)propylcarbamoyl]naphthalen-1-yl]diazenyl]phenyl]ethyl]phenyl]diazenyl]-3-methyl-N-[3-(methylamino)propyl]naphthalene-2-carboxamide

4-[[4-[2-[4-[[2-hydroxy-3-[3-(methylamino)propylcarbamoyl]naphthalen-1-yl]diazenyl]phenyl]ethyl]phenyl]diazenyl]-3-methyl-N-[3-(methylamino)propyl]naphthalene-2-carboxamide (PubChem CID 142124211) has the molecular formula C45H48N8O3 and a molecular weight of 748.93 g/mol. Its IUPAC name is 4-[[4-[2-[4-[[2-hydroxy-3-[3-(methylamino)propylcarbamoyl]naphthalen-1-yl]diazenyl]phenyl]ethyl]phenyl]diazenyl]-3-methyl-N-[3-(methylamino)propyl]naphthalene-2-carboxamide.

Molecular Properties

Compound Name4-[[4-[2-[4-[[2-hydroxy-3-[3-(methylamino)propylcarbamoyl]naphthalen-1-yl]diazenyl]phenyl]ethyl]phenyl]diazenyl]-3-methyl-N-[3-(methylamino)propyl]naphthalene-2-carboxamide
PubChem CID142124211
Molecular FormulaC45H48N8O3
Molecular Weight748.93 g/mol
Exact Mass748.38
IUPAC Name4-[[4-[2-[4-[[2-hydroxy-3-[3-(methylamino)propylcarbamoyl]naphthalen-1-yl]diazenyl]phenyl]ethyl]phenyl]diazenyl]-3-methyl-N-[3-(methylamino)propyl]naphthalene-2-carboxamide
SMILESCNCCCNC(=O)c1cc2ccccc2c(/N=N/c2ccc(CCc3ccc(/N=N/c4c(O)c(C(=O)NCCCNC)cc5ccccc45)cc3)cc2)c1C
InChIInChI=1S/C45H48N8O3/c1-30-39(44(55)48-26-8-24-46-2)28-33-10-4-6-12-37(33)41(30)52-50-35-20-16-31(17-21-35)14-15-32-18-22-36(23-19-32)51-53-42-38-13-7-5-11-34(38)29-40(43(42)54)45(56)49-27-9-25-47-3/h4-7,10-13,16-23,28-29,46-47,54H,8-9,14-15,24-27H2,1-3H3,(H,48,55)(H,49,56)/b52-50+,53-51+
InChIKeyUHRVEYCINWVFQW-NMWXCNFPSA-N
XLogP9.30
TPSA151.93 Ų
H-Bond Donors5
H-Bond Acceptors9
Rotatable Bonds17
Heavy Atoms56
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500748.93
LogP ≤ 59.30
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}

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Related Compounds

2-[[3-hydroxy-4-[[4-[2-[4-[[2-hydroxy-3-(propylcarbamoyl)naphthalen-1-yl]diazenyl]phenyl]ethyl]phenyl]diazenyl]naphthalene-2-carbonyl]amino]ethyl-trimethylazanium
CID 135738328
4-[(4-butyl-2-hydroxyphenyl)diazenyl]-3-hydroxy-N-phenylnaphthalene-2-carboxamide
CID 135991568
N-(2,4-dimethylphenyl)-3-hydroxy-4-phenyldiazenylnaphthalene-2-carboxamide
CID 3798515
N-(4-ethoxyphenyl)-3-hydroxy-4-phenyldiazenylnaphthalene-2-carboxamide
CID 155007361
4-[[4-(3-aminopentan-3-yl)phenyl]diazenyl]-N-(5-chloro-2-methylphenyl)-3-hydroxynaphthalene-2-carboxamide
CID 136620067
4-[(4-carbamoylphenyl)diazenyl]-N-(2-ethoxyphenyl)-3-hydroxynaphthalene-2-carboxamide
CID 17740
4-[[3-(butylcarbamoyl)-2-hydroxynaphthalen-1-yl]methyl]-3-hydroxynaphthalene-2-carboxylic acid
CID 102510581
N-[(2-chlorophenyl)carbamoyl]-4-[[4-[[4-[[3-[(2-chlorophenyl)carbamoylcarbamoyl]-2-hydroxynaphthalen-1-yl]diazenyl]phenyl]diazenyl]phenyl]diazenyl]-3-hydroxynaphthalene-2-carboxamide
CID 136629268
3-methyl-N-[3-(methylamino)propyl]benzo[g][1]benzofuran-2-carboxamide
CID 119430725
3-hydroxy-4-[[7-[[2-hydroxy-3-[(3-methylphenyl)carbamoyl]naphthalen-1-yl]diazenyl]-9-oxofluoren-2-yl]diazenyl]-N-phenylnaphthalene-2-carboxamide
CID 135731626
3-methyl-N-[3-(methylamino)propyl]benzo[g][1]benzofuran-2-carboxamide;hydrochloride
CID 119430724
4-[(4-benzamido-3,5-dimethoxyphenyl)diazenyl]-3-hydroxy-N-phenylnaphthalene-2-carboxamide
CID 177440661

Frequently Asked Questions

What is the IUPAC name of 4-[[4-[2-[4-[[2-hydroxy-3-[3-(methylamino)propylcarbamoyl]naphthalen-1-yl]diazenyl]phenyl]ethyl]phenyl]diazenyl]-3-methyl-N-[3-(methylamino)propyl]naphthalene-2-carboxamide?
The IUPAC name of 4-[[4-[2-[4-[[2-hydroxy-3-[3-(methylamino)propylcarbamoyl]naphthalen-1-yl]diazenyl]phenyl]ethyl]phenyl]diazenyl]-3-methyl-N-[3-(methylamino)propyl]naphthalene-2-carboxamide (CID 142124211) is 4-[[4-[2-[4-[[2-hydroxy-3-[3-(methylamino)propylcarbamoyl]naphthalen-1-yl]diazenyl]phenyl]ethyl]phenyl]diazenyl]-3-methyl-N-[3-(methylamino)propyl]naphthalene-2-carboxamide.
What is the SMILES notation for 4-[[4-[2-[4-[[2-hydroxy-3-[3-(methylamino)propylcarbamoyl]naphthalen-1-yl]diazenyl]phenyl]ethyl]phenyl]diazenyl]-3-methyl-N-[3-(methylamino)propyl]naphthalene-2-carboxamide?
The canonical SMILES for 4-[[4-[2-[4-[[2-hydroxy-3-[3-(methylamino)propylcarbamoyl]naphthalen-1-yl]diazenyl]phenyl]ethyl]phenyl]diazenyl]-3-methyl-N-[3-(methylamino)propyl]naphthalene-2-carboxamide is CNCCCNC(=O)c1cc2ccccc2c(/N=N/c2ccc(CCc3ccc(/N=N/c4c(O)c(C(=O)NCCCNC)cc5ccccc45)cc3)cc2)c1C.
What is the InChIKey of 4-[[4-[2-[4-[[2-hydroxy-3-[3-(methylamino)propylcarbamoyl]naphthalen-1-yl]diazenyl]phenyl]ethyl]phenyl]diazenyl]-3-methyl-N-[3-(methylamino)propyl]naphthalene-2-carboxamide?
The InChIKey is UHRVEYCINWVFQW-NMWXCNFPSA-N. The full InChI is InChI=1S/C45H48N8O3/c1-30-39(44(55)48-26-8-24-46-2)28-33-10-4-6-12-37(33)41(30)52-50-35-20-16-31(17-21-35)14-15-32-18-22-36(23-19-32)51-53-42-38-13-7-5-11-34(38)29-40(43(42)54)45(56)49-27-9-25-47-3/h4-7,10-13,16-23,28-29,46-47,54H,8-9,14-15,24-27H2,1-3H3,(H,48,55)(H,49,56)/b52-50+,53-51+.
What are the key properties of 4-[[4-[2-[4-[[2-hydroxy-3-[3-(methylamino)propylcarbamoyl]naphthalen-1-yl]diazenyl]phenyl]ethyl]phenyl]diazenyl]-3-methyl-N-[3-(methylamino)propyl]naphthalene-2-carboxamide?
4-[[4-[2-[4-[[2-hydroxy-3-[3-(methylamino)propylcarbamoyl]naphthalen-1-yl]diazenyl]phenyl]ethyl]phenyl]diazenyl]-3-methyl-N-[3-(methylamino)propyl]naphthalene-2-carboxamide has a molecular weight of 748.93 g/mol, XLogP of 9.30, 17 rotatable bonds, 5 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[4-[2-[4-[[2-hydroxy-3-[3-(methylamino)propylcarbamoyl]naphthalen-1-yl]diazenyl]phenyl]ethyl]phenyl]diazenyl]-3-methyl-N-[3-(methylamino)propyl]naphthalene-2-carboxamide is sourced from PubChem (CID 142124211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).