4-amino-N-[(4-hydroxy-3-methoxyphenyl)methyl]-N-methylbenzamide

C16H18N2O3 — CID 60963073

IUPAC4-amino-N-[(4-hydroxy-3-methoxyphenyl)methyl]-N-methylbenzamide
SMILESCOc1cc(CN(C)C(=O)c2ccc(N)cc2)ccc1O
InChIInChI=1S/C16H18N2O3/c1-18(16(20)12-4-6-13(17)7-5-12)10-11-3-8-14(19)15(9-11)21-2/h3-9,19H,10,17H2,1-2H3
InChIKeyQVVXITPZVCMSJY-UHFFFAOYSA-N
MW286.33 g/mol
LogP2.26
Rot. Bonds4

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

4-amino-N-[(4-hydroxy-3-methoxyphenyl)methyl]-N-methylbenzamide (PubChem CID 60963073) has the molecular formula C16H18N2O3 and a molecular weight of 286.33 g/mol. Its IUPAC name is 4-amino-N-[(4-hydroxy-3-methoxyphenyl)methyl]-N-methylbenzamide.

Molecular Properties

Compound Name4-amino-N-[(4-hydroxy-3-methoxyphenyl)methyl]-N-methylbenzamide
PubChem CID60963073
Molecular FormulaC16H18N2O3
Molecular Weight286.33 g/mol
Exact Mass286.13
IUPAC Name4-amino-N-[(4-hydroxy-3-methoxyphenyl)methyl]-N-methylbenzamide
SMILESCOc1cc(CN(C)C(=O)c2ccc(N)cc2)ccc1O
InChIInChI=1S/C16H18N2O3/c1-18(16(20)12-4-6-13(17)7-5-12)10-11-3-8-14(19)15(9-11)21-2/h3-9,19H,10,17H2,1-2H3
InChIKeyQVVXITPZVCMSJY-UHFFFAOYSA-N
XLogP2.26
TPSA75.79 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.33
LogP ≤ 52.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-amino-N-[(3,4-dimethoxyphenyl)methyl]-N-methylbenzamide
CID 10424874
4-amino-N-[(4-hydroxy-3-methoxyphenyl)methyl]-N,1-dimethylpyrrole-2-carboxamide
CID 61115670
2-bromo-N-[(4-hydroxy-3-methoxyphenyl)methyl]-N-methylpyridine-4-carboxamide
CID 103801002
5-chloro-N-[(4-hydroxy-3-methoxyphenyl)methyl]-N-methylfuran-2-carboxamide
CID 103800995
N-[(4-hydroxy-3-methoxyphenyl)methyl]-N,2-dimethylpropanamide
CID 64592034
4-[[(4-aminobenzoyl)-methylamino]methyl]benzamide
CID 60940099
(2R)-2-amino-N-[(4-hydroxy-3-methoxyphenyl)methyl]-N,3-dimethylbutanamide
CID 79012977
(2S)-2-amino-N-[(4-hydroxy-3-methoxyphenyl)methyl]-N-methylbutanamide
CID 79024662
N-[(4-aminophenyl)methyl]-4-fluoro-N-methylbenzamide
CID 43458159
(2R)-2-amino-N-[(4-hydroxy-3-methoxyphenyl)methyl]-N,3,3-trimethylbutanamide
CID 103929356
1-amino-N-[(4-hydroxy-3-methoxyphenyl)methyl]-N-methylcyclopentane-1-carboxamide;hydrochloride
CID 119279477
4-bromo-N-[(4-hydroxy-3-methoxyphenyl)methyl]-N-methyl-1H-pyrrole-2-carboxamide
CID 60728988

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-[(4-hydroxy-3-methoxyphenyl)methyl]-N-methylbenzamide?
The IUPAC name of 4-amino-N-[(4-hydroxy-3-methoxyphenyl)methyl]-N-methylbenzamide (CID 60963073) is 4-amino-N-[(4-hydroxy-3-methoxyphenyl)methyl]-N-methylbenzamide.
What is the SMILES notation for 4-amino-N-[(4-hydroxy-3-methoxyphenyl)methyl]-N-methylbenzamide?
The canonical SMILES for 4-amino-N-[(4-hydroxy-3-methoxyphenyl)methyl]-N-methylbenzamide is COc1cc(CN(C)C(=O)c2ccc(N)cc2)ccc1O.
What is the InChIKey of 4-amino-N-[(4-hydroxy-3-methoxyphenyl)methyl]-N-methylbenzamide?
The InChIKey is QVVXITPZVCMSJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O3/c1-18(16(20)12-4-6-13(17)7-5-12)10-11-3-8-14(19)15(9-11)21-2/h3-9,19H,10,17H2,1-2H3.
What are the key properties of 4-amino-N-[(4-hydroxy-3-methoxyphenyl)methyl]-N-methylbenzamide?
4-amino-N-[(4-hydroxy-3-methoxyphenyl)methyl]-N-methylbenzamide has a molecular weight of 286.33 g/mol, XLogP of 2.26, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-[(4-hydroxy-3-methoxyphenyl)methyl]-N-methylbenzamide is sourced from PubChem (CID 60963073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).