2-amino-N-(3-hydroxyphenyl)-4,5-dimethoxybenzamide

C15H16N2O4 — CID 61168074

IUPAC2-amino-N-(3-hydroxyphenyl)-4,5-dimethoxybenzamide
SMILESCOc1cc(N)c(C(=O)Nc2cccc(O)c2)cc1OC
InChIInChI=1S/C15H16N2O4/c1-20-13-7-11(12(16)8-14(13)21-2)15(19)17-9-4-3-5-10(18)6-9/h3-8,18H,16H2,1-2H3,(H,17,19)
InChIKeyNCCWBZAJHJOPFD-UHFFFAOYSA-N
MW288.30 g/mol
LogP2.24
Rot. Bonds4

About 2-amino-N-(3-hydroxyphenyl)-4,5-dimethoxybenzamide

2-amino-N-(3-hydroxyphenyl)-4,5-dimethoxybenzamide (PubChem CID 61168074) has the molecular formula C15H16N2O4 and a molecular weight of 288.30 g/mol. Its IUPAC name is 2-amino-N-(3-hydroxyphenyl)-4,5-dimethoxybenzamide.

Molecular Properties

Compound Name2-amino-N-(3-hydroxyphenyl)-4,5-dimethoxybenzamide
PubChem CID61168074
Molecular FormulaC15H16N2O4
Molecular Weight288.30 g/mol
Exact Mass288.11
IUPAC Name2-amino-N-(3-hydroxyphenyl)-4,5-dimethoxybenzamide
SMILESCOc1cc(N)c(C(=O)Nc2cccc(O)c2)cc1OC
InChIInChI=1S/C15H16N2O4/c1-20-13-7-11(12(16)8-14(13)21-2)15(19)17-9-4-3-5-10(18)6-9/h3-8,18H,16H2,1-2H3,(H,17,19)
InChIKeyNCCWBZAJHJOPFD-UHFFFAOYSA-N
XLogP2.24
TPSA93.81 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.30
LogP ≤ 52.24
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-hydroxy-N-(3-hydroxyphenyl)-3-methoxybenzamide
CID 28739843
2-amino-N-(3-hydroxyphenyl)benzamide
CID 3596059
2-amino-N-(3,5-dimethylphenyl)-4,5-dimethoxybenzamide
CID 43825333
2-amino-4-bromo-N-(3-hydroxyphenyl)benzamide
CID 79723333
2-amino-4,5-dimethoxy-N-(2-methylphenyl)benzamide
CID 14127147
3-amino-5-bromo-N-(3-hydroxyphenyl)-2-methylbenzamide
CID 107872490
5-amino-N-(3-hydroxyphenyl)-1-methylpyrazole-4-carboxamide
CID 82547033
2-bromo-N-(3-hydroxyphenyl)-5-methoxybenzamide
CID 28739934
N-(3-benzamidophenyl)-2,4,5-trimethoxybenzamide
CID 55797225
2-amino-N-(3-carbamoylphenyl)-4-methoxybenzamide
CID 115412996
2-amino-N-(6-chloro-3-pyridinyl)-4,5-dimethoxybenzamide
CID 115279862
2-amino-N-hydroxy-4,5-dimethoxybenzamide
CID 11535831

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(3-hydroxyphenyl)-4,5-dimethoxybenzamide?
The IUPAC name of 2-amino-N-(3-hydroxyphenyl)-4,5-dimethoxybenzamide (CID 61168074) is 2-amino-N-(3-hydroxyphenyl)-4,5-dimethoxybenzamide.
What is the SMILES notation for 2-amino-N-(3-hydroxyphenyl)-4,5-dimethoxybenzamide?
The canonical SMILES for 2-amino-N-(3-hydroxyphenyl)-4,5-dimethoxybenzamide is COc1cc(N)c(C(=O)Nc2cccc(O)c2)cc1OC.
What is the InChIKey of 2-amino-N-(3-hydroxyphenyl)-4,5-dimethoxybenzamide?
The InChIKey is NCCWBZAJHJOPFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O4/c1-20-13-7-11(12(16)8-14(13)21-2)15(19)17-9-4-3-5-10(18)6-9/h3-8,18H,16H2,1-2H3,(H,17,19).
What are the key properties of 2-amino-N-(3-hydroxyphenyl)-4,5-dimethoxybenzamide?
2-amino-N-(3-hydroxyphenyl)-4,5-dimethoxybenzamide has a molecular weight of 288.30 g/mol, XLogP of 2.24, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-(3-hydroxyphenyl)-4,5-dimethoxybenzamide is sourced from PubChem (CID 61168074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).