2-amino-N-[(4-hydroxyphenyl)methyl]-4-methoxybenzamide

C15H16N2O3 — CID 114332211

IUPAC2-amino-N-[(4-hydroxyphenyl)methyl]-4-methoxybenzamide
SMILESCOc1ccc(C(=O)NCc2ccc(O)cc2)c(N)c1
InChIInChI=1S/C15H16N2O3/c1-20-12-6-7-13(14(16)8-12)15(19)17-9-10-2-4-11(18)5-3-10/h2-8,18H,9,16H2,1H3,(H,17,19)
InChIKeyHQFQUGMSNUFUNW-UHFFFAOYSA-N
MW272.30 g/mol
LogP1.91
Rot. Bonds4

About 2-amino-N-[(4-hydroxyphenyl)methyl]-4-methoxybenzamide

2-amino-N-[(4-hydroxyphenyl)methyl]-4-methoxybenzamide (PubChem CID 114332211) has the molecular formula C15H16N2O3 and a molecular weight of 272.30 g/mol. Its IUPAC name is 2-amino-N-[(4-hydroxyphenyl)methyl]-4-methoxybenzamide.

Molecular Properties

Compound Name2-amino-N-[(4-hydroxyphenyl)methyl]-4-methoxybenzamide
PubChem CID114332211
Molecular FormulaC15H16N2O3
Molecular Weight272.30 g/mol
Exact Mass272.12
IUPAC Name2-amino-N-[(4-hydroxyphenyl)methyl]-4-methoxybenzamide
SMILESCOc1ccc(C(=O)NCc2ccc(O)cc2)c(N)c1
InChIInChI=1S/C15H16N2O3/c1-20-12-6-7-13(14(16)8-12)15(19)17-9-10-2-4-11(18)5-3-10/h2-8,18H,9,16H2,1H3,(H,17,19)
InChIKeyHQFQUGMSNUFUNW-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

2-amino-N-[(4-ethylphenyl)methyl]-4-methoxybenzamide
CID 106899778
2-amino-N-[[4-(dimethylamino)phenyl]methyl]-4-methoxybenzamide
CID 82546293
N-[(4-hydroxyphenyl)methyl]-2,5-dimethoxybenzamide
CID 115577613
2-amino-N-[(2-ethylphenyl)methyl]-4-methoxybenzamide
CID 115413362
2-chloro-4-methoxy-N-[(4-methoxyphenyl)methyl]benzamide
CID 110763493
2-amino-N-[2-(4-fluorophenyl)ethyl]-4-methoxybenzamide
CID 80503131
2-amino-N-hydroxy-4-methoxybenzamide
CID 115413301
2-amino-N-[(5-bromothiophen-2-yl)methyl]-4-methoxybenzamide
CID 115412848
2-fluoro-N-[(4-fluorophenyl)methyl]-4-methoxybenzamide
CID 30691396
methyl 3-[(2-amino-4-methoxybenzoyl)amino]-2-hydroxypropanoate
CID 107222746
2-hydroxy-5-methoxy-N-[(4-methylphenyl)methyl]benzamide
CID 11086863
2-amino-N-(3-amino-2,2-dimethyl-3-oxopropyl)-4-methoxybenzamide
CID 106276358

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[(4-hydroxyphenyl)methyl]-4-methoxybenzamide?
The IUPAC name of 2-amino-N-[(4-hydroxyphenyl)methyl]-4-methoxybenzamide (CID 114332211) is 2-amino-N-[(4-hydroxyphenyl)methyl]-4-methoxybenzamide.
What is the SMILES notation for 2-amino-N-[(4-hydroxyphenyl)methyl]-4-methoxybenzamide?
The canonical SMILES for 2-amino-N-[(4-hydroxyphenyl)methyl]-4-methoxybenzamide is COc1ccc(C(=O)NCc2ccc(O)cc2)c(N)c1.
What is the InChIKey of 2-amino-N-[(4-hydroxyphenyl)methyl]-4-methoxybenzamide?
The InChIKey is HQFQUGMSNUFUNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O3/c1-20-12-6-7-13(14(16)8-12)15(19)17-9-10-2-4-11(18)5-3-10/h2-8,18H,9,16H2,1H3,(H,17,19).
What are the key properties of 2-amino-N-[(4-hydroxyphenyl)methyl]-4-methoxybenzamide?
2-amino-N-[(4-hydroxyphenyl)methyl]-4-methoxybenzamide 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 2-amino-N-[(4-hydroxyphenyl)methyl]-4-methoxybenzamide is sourced from PubChem (CID 114332211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).