2-[3-(4-methoxy-3-methylphenyl)propanoylamino]-N-[(1S)-1-phenylethyl]benzamide

C26H28N2O3 — CID 100595887

IUPAC2-[3-(4-methoxy-3-methylphenyl)propanoylamino]-N-[(1S)-1-phenylethyl]benzamide
SMILESCOc1ccc(CCC(=O)Nc2ccccc2C(=O)N[C@@H](C)c2ccccc2)cc1C
InChIInChI=1S/C26H28N2O3/c1-18-17-20(13-15-24(18)31-3)14-16-25(29)28-23-12-8-7-11-22(23)26(30)27-19(2)21-9-5-4-6-10-21/h4-13,15,17,19H,14,16H2,1-3H3,(H,27,30)(H,28,29)/t19-/m0/s1
InChIKeyCNQREAICVNXZMS-IBGZPJMESA-N
MW416.52 g/mol
LogP5.07
Rot. Bonds8

About 2-[3-(4-methoxy-3-methylphenyl)propanoylamino]-N-[(1S)-1-phenylethyl]benzamide

2-[3-(4-methoxy-3-methylphenyl)propanoylamino]-N-[(1S)-1-phenylethyl]benzamide (PubChem CID 100595887) has the molecular formula C26H28N2O3 and a molecular weight of 416.52 g/mol. Its IUPAC name is 2-[3-(4-methoxy-3-methylphenyl)propanoylamino]-N-[(1S)-1-phenylethyl]benzamide.

Molecular Properties

Compound Name2-[3-(4-methoxy-3-methylphenyl)propanoylamino]-N-[(1S)-1-phenylethyl]benzamide
PubChem CID100595887
Molecular FormulaC26H28N2O3
Molecular Weight416.52 g/mol
Exact Mass416.21
IUPAC Name2-[3-(4-methoxy-3-methylphenyl)propanoylamino]-N-[(1S)-1-phenylethyl]benzamide
SMILESCOc1ccc(CCC(=O)Nc2ccccc2C(=O)N[C@@H](C)c2ccccc2)cc1C
InChIInChI=1S/C26H28N2O3/c1-18-17-20(13-15-24(18)31-3)14-16-25(29)28-23-12-8-7-11-22(23)26(30)27-19(2)21-9-5-4-6-10-21/h4-13,15,17,19H,14,16H2,1-3H3,(H,27,30)(H,28,29)/t19-/m0/s1
InChIKeyCNQREAICVNXZMS-IBGZPJMESA-N
XLogP5.07
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500416.52
LogP ≤ 55.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-(4-methoxy-3-methylphenyl)-N-(1-phenylethyl)propanamide
CID 133161337
2-[3-(4-fluorophenyl)propanoylamino]-N-[(1R)-1-phenylethyl]benzamide
CID 92540792
2-[3-(4-fluorophenyl)propanoylamino]-N-[(1S)-1-phenylethyl]benzamide
CID 92540793
N-[(2S)-butan-2-yl]-2-[3-(3,4-dimethoxyphenyl)propanoylamino]benzamide
CID 28579202
2-[3-[(2-methoxybenzoyl)amino]propanoylamino]-N-(1-phenylethyl)benzamide
CID 43000358
N-butan-2-yl-2-[3-(3,4-dimethylphenyl)propanoylamino]benzamide
CID 133235466
2-[[2-(2,4-dimethylphenoxy)acetyl]amino]-N-(1-phenylethyl)benzamide
CID 4935075
2-(3-chloropropanoylamino)-N-(1-phenylethyl)benzamide
CID 4157890
N-(2-ethoxyphenyl)-3-(4-methoxy-3-methylphenyl)propanamide
CID 100573859
2-[(2-phenylacetyl)amino]-N-[(1S)-1-phenylethyl]benzamide
CID 1210513
2-[(2-methoxyphenyl)carbamoylamino]-N-[(1R)-1-phenylethyl]benzamide
CID 100747177
2-[3-(2,6-dichlorophenyl)propanoylamino]-N-[(1S)-1-phenylethyl]benzamide
CID 100600751

Frequently Asked Questions

What is the IUPAC name of 2-[3-(4-methoxy-3-methylphenyl)propanoylamino]-N-[(1S)-1-phenylethyl]benzamide?
The IUPAC name of 2-[3-(4-methoxy-3-methylphenyl)propanoylamino]-N-[(1S)-1-phenylethyl]benzamide (CID 100595887) is 2-[3-(4-methoxy-3-methylphenyl)propanoylamino]-N-[(1S)-1-phenylethyl]benzamide.
What is the SMILES notation for 2-[3-(4-methoxy-3-methylphenyl)propanoylamino]-N-[(1S)-1-phenylethyl]benzamide?
The canonical SMILES for 2-[3-(4-methoxy-3-methylphenyl)propanoylamino]-N-[(1S)-1-phenylethyl]benzamide is COc1ccc(CCC(=O)Nc2ccccc2C(=O)N[C@@H](C)c2ccccc2)cc1C.
What is the InChIKey of 2-[3-(4-methoxy-3-methylphenyl)propanoylamino]-N-[(1S)-1-phenylethyl]benzamide?
The InChIKey is CNQREAICVNXZMS-IBGZPJMESA-N. The full InChI is InChI=1S/C26H28N2O3/c1-18-17-20(13-15-24(18)31-3)14-16-25(29)28-23-12-8-7-11-22(23)26(30)27-19(2)21-9-5-4-6-10-21/h4-13,15,17,19H,14,16H2,1-3H3,(H,27,30)(H,28,29)/t19-/m0/s1.
What are the key properties of 2-[3-(4-methoxy-3-methylphenyl)propanoylamino]-N-[(1S)-1-phenylethyl]benzamide?
2-[3-(4-methoxy-3-methylphenyl)propanoylamino]-N-[(1S)-1-phenylethyl]benzamide has a molecular weight of 416.52 g/mol, XLogP of 5.07, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(4-methoxy-3-methylphenyl)propanoylamino]-N-[(1S)-1-phenylethyl]benzamide is sourced from PubChem (CID 100595887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).