2,4-dimethoxy-N-[(1S)-1-phenylethyl]benzamide

C17H19NO3 — CID 814199

IUPAC2,4-dimethoxy-N-[(1S)-1-phenylethyl]benzamide
SMILESCOc1ccc(C(=O)N[C@@H](C)c2ccccc2)c(OC)c1
InChIInChI=1S/C17H19NO3/c1-12(13-7-5-4-6-8-13)18-17(19)15-10-9-14(20-2)11-16(15)21-3/h4-12H,1-3H3,(H,18,19)/t12-/m0/s1
InChIKeyKMOQQUTWLOKNES-LBPRGKRZSA-N
MW285.34 g/mol
LogP3.19
Rot. Bonds5

About 2,4-dimethoxy-N-[(1S)-1-phenylethyl]benzamide

2,4-dimethoxy-N-[(1S)-1-phenylethyl]benzamide (PubChem CID 814199) has the molecular formula C17H19NO3 and a molecular weight of 285.34 g/mol. Its IUPAC name is 2,4-dimethoxy-N-[(1S)-1-phenylethyl]benzamide.

Molecular Properties

Compound Name2,4-dimethoxy-N-[(1S)-1-phenylethyl]benzamide
PubChem CID814199
Molecular FormulaC17H19NO3
Molecular Weight285.34 g/mol
Exact Mass285.14
IUPAC Name2,4-dimethoxy-N-[(1S)-1-phenylethyl]benzamide
SMILESCOc1ccc(C(=O)N[C@@H](C)c2ccccc2)c(OC)c1
InChIInChI=1S/C17H19NO3/c1-12(13-7-5-4-6-8-13)18-17(19)15-10-9-14(20-2)11-16(15)21-3/h4-12H,1-3H3,(H,18,19)/t12-/m0/s1
InChIKeyKMOQQUTWLOKNES-LBPRGKRZSA-N
XLogP3.19
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.34
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2,4-dimethoxy-N-[1-[4-(trifluoromethoxy)phenyl]ethyl]benzamide
CID 46423703
3-[(2,4-dimethoxybenzoyl)amino]-3-phenylpropanoic acid
CID 45461179
N-[(1S)-1-(2-chlorophenyl)ethyl]-2,4-dimethoxybenzamide
CID 26907594
[2-oxo-2-[[(1R)-1-phenylethyl]amino]ethyl] 2,4-dimethoxybenzoate
CID 2505113
[3-methoxy-4-[1-(3-methoxyphenyl)ethylcarbamoyl]phenyl]boronic acid
CID 123598238
3-[(2,4-dimethoxybenzoyl)amino]butanoic acid
CID 43240643
2,4-dimethoxy-N-[phenyl(pyridin-2-yl)methyl]benzamide
CID 44765343
2,4-dimethoxy-N-[1-(2-methoxy-5-methylphenyl)ethyl]benzamide
CID 17467082
2-[(2,5-dimethoxyphenyl)sulfonylamino]-N-[(1R)-1-phenylethyl]benzamide
CID 51557476
N-[1-(4-imidazol-1-ylphenyl)ethyl]-2,4-dimethoxybenzamide
CID 18112932
4-methoxy-3-[[(1R)-1-phenylethyl]carbamoyl]benzoic acid
CID 129054309
3-methoxy-N-[2-[[(1R)-1-phenylethyl]carbamoyl]phenyl]naphthalene-2-carboxamide
CID 92674914

Frequently Asked Questions

What is the IUPAC name of 2,4-dimethoxy-N-[(1S)-1-phenylethyl]benzamide?
The IUPAC name of 2,4-dimethoxy-N-[(1S)-1-phenylethyl]benzamide (CID 814199) is 2,4-dimethoxy-N-[(1S)-1-phenylethyl]benzamide.
What is the SMILES notation for 2,4-dimethoxy-N-[(1S)-1-phenylethyl]benzamide?
The canonical SMILES for 2,4-dimethoxy-N-[(1S)-1-phenylethyl]benzamide is COc1ccc(C(=O)N[C@@H](C)c2ccccc2)c(OC)c1.
What is the InChIKey of 2,4-dimethoxy-N-[(1S)-1-phenylethyl]benzamide?
The InChIKey is KMOQQUTWLOKNES-LBPRGKRZSA-N. The full InChI is InChI=1S/C17H19NO3/c1-12(13-7-5-4-6-8-13)18-17(19)15-10-9-14(20-2)11-16(15)21-3/h4-12H,1-3H3,(H,18,19)/t12-/m0/s1.
What are the key properties of 2,4-dimethoxy-N-[(1S)-1-phenylethyl]benzamide?
2,4-dimethoxy-N-[(1S)-1-phenylethyl]benzamide has a molecular weight of 285.34 g/mol, XLogP of 3.19, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dimethoxy-N-[(1S)-1-phenylethyl]benzamide is sourced from PubChem (CID 814199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).