N-[(4-hydroxy-3-methoxyphenyl)methyl]nonanamide;methyl 3-amino-4-hydroxybenzoate

C25H36N2O6 — CID 68817622

IUPACN-[(4-hydroxy-3-methoxyphenyl)methyl]nonanamide;methyl 3-amino-4-hydroxybenzoate
SMILESCCCCCCCCC(=O)NCc1ccc(O)c(OC)c1.COC(=O)c1ccc(O)c(N)c1
InChIInChI=1S/C17H27NO3.C8H9NO3/c1-3-4-5-6-7-8-9-17(20)18-13-14-10-11-15(19)16(12-14)21-2;1-12-8(11)5-2-3-7(10)6(9)4-5/h10-12,19H,3-9,13H2,1-2H3,(H,18,20);2-4,10H,9H2,1H3
InChIKeyIMSNRJJLVTUXTC-UHFFFAOYSA-N
MW460.57 g/mol
LogP4.53
Rot. Bonds11

About N-[(4-hydroxy-3-methoxyphenyl)methyl]nonanamide;methyl 3-amino-4-hydroxybenzoate

N-[(4-hydroxy-3-methoxyphenyl)methyl]nonanamide;methyl 3-amino-4-hydroxybenzoate (PubChem CID 68817622) has the molecular formula C25H36N2O6 and a molecular weight of 460.57 g/mol. Its IUPAC name is N-[(4-hydroxy-3-methoxyphenyl)methyl]nonanamide;methyl 3-amino-4-hydroxybenzoate.

Molecular Properties

Compound NameN-[(4-hydroxy-3-methoxyphenyl)methyl]nonanamide;methyl 3-amino-4-hydroxybenzoate
PubChem CID68817622
Molecular FormulaC25H36N2O6
Molecular Weight460.57 g/mol
Exact Mass460.26
IUPAC NameN-[(4-hydroxy-3-methoxyphenyl)methyl]nonanamide;methyl 3-amino-4-hydroxybenzoate
SMILESCCCCCCCCC(=O)NCc1ccc(O)c(OC)c1.COC(=O)c1ccc(O)c(N)c1
InChIInChI=1S/C17H27NO3.C8H9NO3/c1-3-4-5-6-7-8-9-17(20)18-13-14-10-11-15(19)16(12-14)21-2;1-12-8(11)5-2-3-7(10)6(9)4-5/h10-12,19H,3-9,13H2,1-2H3,(H,18,20);2-4,10H,9H2,1H3
InChIKeyIMSNRJJLVTUXTC-UHFFFAOYSA-N
XLogP4.53
TPSA131.11 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds11
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500460.57
LogP ≤ 54.53
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'catechol', 'substructure': 'N/A'}

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Related Compounds

N-[(4-hydroxy-3-methoxyphenyl)methyl]nonanamide
CID 2998
N-[(4-hydroxy-3-methoxyphenyl)methyl]heptanamide acetate
CID 20976476
N-[(4-hydroxy-3-methoxyphenyl)methyl]non-6-ynamide
CID 156856948
N-[(4-hydroxy-3-methoxyphenyl)methyl]undec-10-ynamide
CID 3032050
N-[(4-hydroxy-3-methylsulfanylphenyl)methyl]nonanamide
CID 14392586
N-[(4-hydroxy-3-methoxyphenyl)methyl]oct-6-ynamide
CID 156856949
N-[(3-methoxy-4-trimethylsilyloxyphenyl)methyl]nonanamide
CID 610544
2-(diethylamino)-N-(2,6-dimethylphenyl)acetamide;N-[(4-hydroxy-3-methoxyphenyl)methyl]nonanamide
CID 68814449
ethanol;N-[(4-hydroxy-3-methoxyphenyl)methyl]-8-methylnonanamide;2-methylbutane;propan-2-ol
CID 174965538
N-[[4-(2-aminoethoxy)-3-methoxyphenyl]methyl]hexanamide
CID 19904835
N-[[4-[8-(diaminomethylideneamino)octoxy]-3-methoxyphenyl]methyl]nonanamide
CID 171348881
(Z)-N-[[4-(2-aminoethylsulfanyl)-3-methoxyphenyl]methyl]octadec-9-enamide
CID 67825540

Frequently Asked Questions

What is the IUPAC name of N-[(4-hydroxy-3-methoxyphenyl)methyl]nonanamide;methyl 3-amino-4-hydroxybenzoate?
The IUPAC name of N-[(4-hydroxy-3-methoxyphenyl)methyl]nonanamide;methyl 3-amino-4-hydroxybenzoate (CID 68817622) is N-[(4-hydroxy-3-methoxyphenyl)methyl]nonanamide;methyl 3-amino-4-hydroxybenzoate.
What is the SMILES notation for N-[(4-hydroxy-3-methoxyphenyl)methyl]nonanamide;methyl 3-amino-4-hydroxybenzoate?
The canonical SMILES for N-[(4-hydroxy-3-methoxyphenyl)methyl]nonanamide;methyl 3-amino-4-hydroxybenzoate is CCCCCCCCC(=O)NCc1ccc(O)c(OC)c1.COC(=O)c1ccc(O)c(N)c1.
What is the InChIKey of N-[(4-hydroxy-3-methoxyphenyl)methyl]nonanamide;methyl 3-amino-4-hydroxybenzoate?
The InChIKey is IMSNRJJLVTUXTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27NO3.C8H9NO3/c1-3-4-5-6-7-8-9-17(20)18-13-14-10-11-15(19)16(12-14)21-2;1-12-8(11)5-2-3-7(10)6(9)4-5/h10-12,19H,3-9,13H2,1-2H3,(H,18,20);2-4,10H,9H2,1H3.
What are the key properties of N-[(4-hydroxy-3-methoxyphenyl)methyl]nonanamide;methyl 3-amino-4-hydroxybenzoate?
N-[(4-hydroxy-3-methoxyphenyl)methyl]nonanamide;methyl 3-amino-4-hydroxybenzoate has a molecular weight of 460.57 g/mol, XLogP of 4.53, 11 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-hydroxy-3-methoxyphenyl)methyl]nonanamide;methyl 3-amino-4-hydroxybenzoate is sourced from PubChem (CID 68817622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).