3-amino-4-methyl-N-(3,4,5-trimethoxyphenyl)benzamide

C17H20N2O4 — CID 28723700

IUPAC3-amino-4-methyl-N-(3,4,5-trimethoxyphenyl)benzamide
SMILESCOc1cc(NC(=O)c2ccc(C)c(N)c2)cc(OC)c1OC
InChIInChI=1S/C17H20N2O4/c1-10-5-6-11(7-13(10)18)17(20)19-12-8-14(21-2)16(23-4)15(9-12)22-3/h5-9H,18H2,1-4H3,(H,19,20)
InChIKeyHZIGIUFDCSIDOF-UHFFFAOYSA-N
MW316.36 g/mol
LogP2.86
Rot. Bonds5

About 3-amino-4-methyl-N-(3,4,5-trimethoxyphenyl)benzamide

3-amino-4-methyl-N-(3,4,5-trimethoxyphenyl)benzamide (PubChem CID 28723700) has the molecular formula C17H20N2O4 and a molecular weight of 316.36 g/mol. Its IUPAC name is 3-amino-4-methyl-N-(3,4,5-trimethoxyphenyl)benzamide.

Molecular Properties

Compound Name3-amino-4-methyl-N-(3,4,5-trimethoxyphenyl)benzamide
PubChem CID28723700
Molecular FormulaC17H20N2O4
Molecular Weight316.36 g/mol
Exact Mass316.14
IUPAC Name3-amino-4-methyl-N-(3,4,5-trimethoxyphenyl)benzamide
SMILESCOc1cc(NC(=O)c2ccc(C)c(N)c2)cc(OC)c1OC
InChIInChI=1S/C17H20N2O4/c1-10-5-6-11(7-13(10)18)17(20)19-12-8-14(21-2)16(23-4)15(9-12)22-3/h5-9H,18H2,1-4H3,(H,19,20)
InChIKeyHZIGIUFDCSIDOF-UHFFFAOYSA-N
XLogP2.86
TPSA82.81 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.36
LogP ≤ 52.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-(3-amino-4-methylphenyl)-3,4-dimethoxybenzamide
CID 22732292
N-(3-amino-4-methylphenyl)-3-hydroxy-4-methoxybenzamide
CID 79726156
4-methoxy-N-(3,4,5-trimethoxyphenyl)benzamide
CID 4198373
N-(3,4,5-trimethoxyphenyl)naphthalene-2-carboxamide
CID 7741667
3-amino-4-methyl-N-(3,4,5-trifluorophenyl)benzamide
CID 62809093
4-ethoxy-3-methoxy-N-(3,4,5-trimethoxyphenyl)benzamide
CID 26698623
4-[4-[(3,4,5-trimethoxyphenyl)carbamoyl]phenoxy]benzamide
CID 56545250
4-(2,5-dimethylpyrrol-1-yl)-N-(3,4,5-trimethoxyphenyl)benzamide
CID 26717528
3-amino-4-methyl-N-pyrimidin-5-ylbenzamide
CID 107587369
N-(3,5-dimethoxyphenyl)-3-methoxy-4-methylbenzamide
CID 16619720
3-amino-N-(3-iodo-4-methylphenyl)-4-methylbenzamide
CID 43707949
6-oxo-N-(3,4,5-trimethoxyphenyl)pyran-3-carboxamide
CID 110697559

Frequently Asked Questions

What is the IUPAC name of 3-amino-4-methyl-N-(3,4,5-trimethoxyphenyl)benzamide?
The IUPAC name of 3-amino-4-methyl-N-(3,4,5-trimethoxyphenyl)benzamide (CID 28723700) is 3-amino-4-methyl-N-(3,4,5-trimethoxyphenyl)benzamide.
What is the SMILES notation for 3-amino-4-methyl-N-(3,4,5-trimethoxyphenyl)benzamide?
The canonical SMILES for 3-amino-4-methyl-N-(3,4,5-trimethoxyphenyl)benzamide is COc1cc(NC(=O)c2ccc(C)c(N)c2)cc(OC)c1OC.
What is the InChIKey of 3-amino-4-methyl-N-(3,4,5-trimethoxyphenyl)benzamide?
The InChIKey is HZIGIUFDCSIDOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O4/c1-10-5-6-11(7-13(10)18)17(20)19-12-8-14(21-2)16(23-4)15(9-12)22-3/h5-9H,18H2,1-4H3,(H,19,20).
What are the key properties of 3-amino-4-methyl-N-(3,4,5-trimethoxyphenyl)benzamide?
3-amino-4-methyl-N-(3,4,5-trimethoxyphenyl)benzamide has a molecular weight of 316.36 g/mol, XLogP of 2.86, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-4-methyl-N-(3,4,5-trimethoxyphenyl)benzamide is sourced from PubChem (CID 28723700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).