5-amino-N-[[4-(hydroxymethyl)phenyl]methyl]-2-methoxybenzamide

C16H18N2O3 — CID 107229452

IUPAC5-amino-N-[[4-(hydroxymethyl)phenyl]methyl]-2-methoxybenzamide
SMILESCOc1ccc(N)cc1C(=O)NCc1ccc(CO)cc1
InChIInChI=1S/C16H18N2O3/c1-21-15-7-6-13(17)8-14(15)16(20)18-9-11-2-4-12(10-19)5-3-11/h2-8,19H,9-10,17H2,1H3,(H,18,20)
InChIKeyIPEPSMVYCCSTHI-UHFFFAOYSA-N
MW286.33 g/mol
LogP1.70
Rot. Bonds5

About 5-amino-N-[[4-(hydroxymethyl)phenyl]methyl]-2-methoxybenzamide

5-amino-N-[[4-(hydroxymethyl)phenyl]methyl]-2-methoxybenzamide (PubChem CID 107229452) has the molecular formula C16H18N2O3 and a molecular weight of 286.33 g/mol. Its IUPAC name is 5-amino-N-[[4-(hydroxymethyl)phenyl]methyl]-2-methoxybenzamide.

Molecular Properties

Compound Name5-amino-N-[[4-(hydroxymethyl)phenyl]methyl]-2-methoxybenzamide
PubChem CID107229452
Molecular FormulaC16H18N2O3
Molecular Weight286.33 g/mol
Exact Mass286.13
IUPAC Name5-amino-N-[[4-(hydroxymethyl)phenyl]methyl]-2-methoxybenzamide
SMILESCOc1ccc(N)cc1C(=O)NCc1ccc(CO)cc1
InChIInChI=1S/C16H18N2O3/c1-21-15-7-6-13(17)8-14(15)16(20)18-9-11-2-4-12(10-19)5-3-11/h2-8,19H,9-10,17H2,1H3,(H,18,20)
InChIKeyIPEPSMVYCCSTHI-UHFFFAOYSA-N
XLogP1.70
TPSA84.58 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.33
LogP ≤ 51.70
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 5-amino-N-[[4-(hydroxymethyl)phenyl]methyl]-2-methoxybenzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-amino-N-[(4-bromophenyl)methyl]-2-methoxybenzamide
CID 61090611
5-amino-2-methoxy-N-[(3-methylphenyl)methyl]benzamide
CID 61103300
5-amino-N-(furan-3-ylmethyl)-2-methoxybenzamide
CID 113228275
5-amino-N-(4-hydroxybutyl)-2-methoxybenzamide
CID 106840078
5-amino-2-methoxy-N-(thiophen-2-ylmethyl)benzamide
CID 61093193
5-amino-N-benzyl-2-ethoxybenzamide
CID 141452184
5-amino-N-[2-(2-hydroxyethoxy)ethyl]-2-methoxybenzamide
CID 55083724
5-amino-2-methoxy-N-(1,3-thiazol-4-ylmethyl)benzamide
CID 63830021
2-cyanopropanamide;5-fluoro-N-[[4-(hydroxymethyl)phenyl]methyl]-2-methoxybenzamide
CID 176988423
5-chloro-2-methoxy-N-[(4-methylphenyl)methyl]benzamide
CID 2671578
N-[(4-hydroxyphenyl)methyl]-2,5-dimethoxybenzamide
CID 115577613
5-amino-N-[(2-bromo-5-fluorophenyl)methyl]-2-methoxybenzamide
CID 61139839

Frequently Asked Questions

What is the IUPAC name of 5-amino-N-[[4-(hydroxymethyl)phenyl]methyl]-2-methoxybenzamide?
The IUPAC name of 5-amino-N-[[4-(hydroxymethyl)phenyl]methyl]-2-methoxybenzamide (CID 107229452) is 5-amino-N-[[4-(hydroxymethyl)phenyl]methyl]-2-methoxybenzamide.
What is the SMILES notation for 5-amino-N-[[4-(hydroxymethyl)phenyl]methyl]-2-methoxybenzamide?
The canonical SMILES for 5-amino-N-[[4-(hydroxymethyl)phenyl]methyl]-2-methoxybenzamide is COc1ccc(N)cc1C(=O)NCc1ccc(CO)cc1.
What is the InChIKey of 5-amino-N-[[4-(hydroxymethyl)phenyl]methyl]-2-methoxybenzamide?
The InChIKey is IPEPSMVYCCSTHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O3/c1-21-15-7-6-13(17)8-14(15)16(20)18-9-11-2-4-12(10-19)5-3-11/h2-8,19H,9-10,17H2,1H3,(H,18,20).
What are the key properties of 5-amino-N-[[4-(hydroxymethyl)phenyl]methyl]-2-methoxybenzamide?
5-amino-N-[[4-(hydroxymethyl)phenyl]methyl]-2-methoxybenzamide has a molecular weight of 286.33 g/mol, XLogP of 1.70, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-N-[[4-(hydroxymethyl)phenyl]methyl]-2-methoxybenzamide is sourced from PubChem (CID 107229452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).