3-amino-N-[[3-(hydroxymethyl)phenyl]methyl]-4-methoxybenzamide

C16H18N2O3 — CID 107210223

IUPAC3-amino-N-[[3-(hydroxymethyl)phenyl]methyl]-4-methoxybenzamide
SMILESCOc1ccc(C(=O)NCc2cccc(CO)c2)cc1N
InChIInChI=1S/C16H18N2O3/c1-21-15-6-5-13(8-14(15)17)16(20)18-9-11-3-2-4-12(7-11)10-19/h2-8,19H,9-10,17H2,1H3,(H,18,20)
InChIKeyYRPFXFUHEUUIHM-UHFFFAOYSA-N
MW286.33 g/mol
LogP1.70
Rot. Bonds5

About 3-amino-N-[[3-(hydroxymethyl)phenyl]methyl]-4-methoxybenzamide

3-amino-N-[[3-(hydroxymethyl)phenyl]methyl]-4-methoxybenzamide (PubChem CID 107210223) has the molecular formula C16H18N2O3 and a molecular weight of 286.33 g/mol. Its IUPAC name is 3-amino-N-[[3-(hydroxymethyl)phenyl]methyl]-4-methoxybenzamide.

Molecular Properties

Compound Name3-amino-N-[[3-(hydroxymethyl)phenyl]methyl]-4-methoxybenzamide
PubChem CID107210223
Molecular FormulaC16H18N2O3
Molecular Weight286.33 g/mol
Exact Mass286.13
IUPAC Name3-amino-N-[[3-(hydroxymethyl)phenyl]methyl]-4-methoxybenzamide
SMILESCOc1ccc(C(=O)NCc2cccc(CO)c2)cc1N
InChIInChI=1S/C16H18N2O3/c1-21-15-6-5-13(8-14(15)17)16(20)18-9-11-3-2-4-12(7-11)10-19/h2-8,19H,9-10,17H2,1H3,(H,18,20)
InChIKeyYRPFXFUHEUUIHM-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'}

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Related Compounds

3-hydroxy-N-[[3-(hydroxymethyl)phenyl]methyl]-4-methoxybenzamide
CID 79589957
N-[[3-[[(3,4-dimethoxybenzoyl)amino]methyl]phenyl]methyl]-3,4-dimethoxybenzamide
CID 2841934
N-[(3-amino-4-methoxyphenyl)methyl]-3-hydroxybenzamide
CID 60971357
N-[(3-amino-4-methoxyphenyl)methyl]-4-chlorobenzamide
CID 60973085
N-[(3-amino-4-methoxyphenyl)methyl]-3-hydroxy-4-methylbenzamide
CID 60971358
3-amino-N-[(4-cyanophenyl)methyl]-4-methoxybenzamide
CID 61102737
3-amino-4-methoxy-N-(1H-pyrazol-4-ylmethyl)benzamide
CID 61139806
4-(aminomethyl)-N-[[3-(hydroxymethyl)phenyl]methyl]benzamide
CID 103796375
3-amino-N-[(2-bromophenyl)methyl]-4-methoxybenzamide
CID 61401758
3-amino-N-[(3-methoxyphenyl)methyl]-4-methylbenzamide
CID 60873375
N-[[3-(hydroxymethyl)phenyl]methyl]-6-methoxypyridine-3-carboxamide
CID 63310970
5-chloro-N-[[3-(hydroxymethyl)phenyl]methyl]-2-methoxybenzamide
CID 63311043

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[[3-(hydroxymethyl)phenyl]methyl]-4-methoxybenzamide?
The IUPAC name of 3-amino-N-[[3-(hydroxymethyl)phenyl]methyl]-4-methoxybenzamide (CID 107210223) is 3-amino-N-[[3-(hydroxymethyl)phenyl]methyl]-4-methoxybenzamide.
What is the SMILES notation for 3-amino-N-[[3-(hydroxymethyl)phenyl]methyl]-4-methoxybenzamide?
The canonical SMILES for 3-amino-N-[[3-(hydroxymethyl)phenyl]methyl]-4-methoxybenzamide is COc1ccc(C(=O)NCc2cccc(CO)c2)cc1N.
What is the InChIKey of 3-amino-N-[[3-(hydroxymethyl)phenyl]methyl]-4-methoxybenzamide?
The InChIKey is YRPFXFUHEUUIHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O3/c1-21-15-6-5-13(8-14(15)17)16(20)18-9-11-3-2-4-12(7-11)10-19/h2-8,19H,9-10,17H2,1H3,(H,18,20).
What are the key properties of 3-amino-N-[[3-(hydroxymethyl)phenyl]methyl]-4-methoxybenzamide?
3-amino-N-[[3-(hydroxymethyl)phenyl]methyl]-4-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 3-amino-N-[[3-(hydroxymethyl)phenyl]methyl]-4-methoxybenzamide is sourced from PubChem (CID 107210223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).