N-[(3-amino-4-methoxyphenyl)methyl]-3-hydroxybenzamide

C15H16N2O3 — CID 60971357

IUPACN-[(3-amino-4-methoxyphenyl)methyl]-3-hydroxybenzamide
SMILESCOc1ccc(CNC(=O)c2cccc(O)c2)cc1N
InChIInChI=1S/C15H16N2O3/c1-20-14-6-5-10(7-13(14)16)9-17-15(19)11-3-2-4-12(18)8-11/h2-8,18H,9,16H2,1H3,(H,17,19)
InChIKeyBUYQCSAPYJZDJP-UHFFFAOYSA-N
MW272.30 g/mol
LogP1.91
Rot. Bonds4

About N-[(3-amino-4-methoxyphenyl)methyl]-3-hydroxybenzamide

N-[(3-amino-4-methoxyphenyl)methyl]-3-hydroxybenzamide (PubChem CID 60971357) has the molecular formula C15H16N2O3 and a molecular weight of 272.30 g/mol. Its IUPAC name is N-[(3-amino-4-methoxyphenyl)methyl]-3-hydroxybenzamide.

Molecular Properties

Compound NameN-[(3-amino-4-methoxyphenyl)methyl]-3-hydroxybenzamide
PubChem CID60971357
Molecular FormulaC15H16N2O3
Molecular Weight272.30 g/mol
Exact Mass272.12
IUPAC NameN-[(3-amino-4-methoxyphenyl)methyl]-3-hydroxybenzamide
SMILESCOc1ccc(CNC(=O)c2cccc(O)c2)cc1N
InChIInChI=1S/C15H16N2O3/c1-20-14-6-5-10(7-13(14)16)9-17-15(19)11-3-2-4-12(18)8-11/h2-8,18H,9,16H2,1H3,(H,17,19)
InChIKeyBUYQCSAPYJZDJP-UHFFFAOYSA-N
XLogP1.91
TPSA84.58 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.30
LogP ≤ 51.91
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[(3,4-dimethoxyphenyl)methyl]-3-hydroxybenzamide
CID 43397926
N-[(3-amino-4-methoxyphenyl)methyl]-3-hydroxy-4-methylbenzamide
CID 60971358
3-amino-N-[[3-(hydroxymethyl)phenyl]methyl]-4-methoxybenzamide
CID 107210223
N-[(3-amino-4-methoxyphenyl)methyl]-2,6-dimethylbenzamide
CID 107999896
N-[(3-amino-4-methoxyphenyl)methyl]-2-hydroxybenzamide
CID 60973203
N-[(3-amino-4-methoxyphenyl)methyl]-4-chlorobenzamide
CID 60973085
N-[(3-amino-4-methoxyphenyl)methyl]-4-hydroxy-2-methylbenzamide
CID 107670603
N-[(3-amino-4-methoxyphenyl)methyl]-3-chloro-4-fluorobenzamide
CID 82873015
N-[(3-hydroxyphenyl)methyl]-3-methoxybenzamide
CID 47292174
3-(aminomethyl)-N-[(3,4-dimethoxyphenyl)methyl]benzamide
CID 82545918
N-[(3-amino-4-methoxyphenyl)methyl]-5-bromopyridine-3-carboxamide
CID 60972248
N-[[3-[[(3,4-dimethoxybenzoyl)amino]methyl]phenyl]methyl]-3,4-dimethoxybenzamide
CID 2841934

Frequently Asked Questions

What is the IUPAC name of N-[(3-amino-4-methoxyphenyl)methyl]-3-hydroxybenzamide?
The IUPAC name of N-[(3-amino-4-methoxyphenyl)methyl]-3-hydroxybenzamide (CID 60971357) is N-[(3-amino-4-methoxyphenyl)methyl]-3-hydroxybenzamide.
What is the SMILES notation for N-[(3-amino-4-methoxyphenyl)methyl]-3-hydroxybenzamide?
The canonical SMILES for N-[(3-amino-4-methoxyphenyl)methyl]-3-hydroxybenzamide is COc1ccc(CNC(=O)c2cccc(O)c2)cc1N.
What is the InChIKey of N-[(3-amino-4-methoxyphenyl)methyl]-3-hydroxybenzamide?
The InChIKey is BUYQCSAPYJZDJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O3/c1-20-14-6-5-10(7-13(14)16)9-17-15(19)11-3-2-4-12(18)8-11/h2-8,18H,9,16H2,1H3,(H,17,19).
What are the key properties of N-[(3-amino-4-methoxyphenyl)methyl]-3-hydroxybenzamide?
N-[(3-amino-4-methoxyphenyl)methyl]-3-hydroxybenzamide has a molecular weight of 272.30 g/mol, XLogP of 1.91, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-amino-4-methoxyphenyl)methyl]-3-hydroxybenzamide is sourced from PubChem (CID 60971357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).