2-[[2-[benzoyl(methyl)amino]acetyl]amino]-N-(1-phenylethyl)benzamide

C25H25N3O3 — CID 42949097

IUPAC2-[[2-[benzoyl(methyl)amino]acetyl]amino]-N-(1-phenylethyl)benzamide
SMILESCC(NC(=O)c1ccccc1NC(=O)CN(C)C(=O)c1ccccc1)c1ccccc1
InChIInChI=1S/C25H25N3O3/c1-18(19-11-5-3-6-12-19)26-24(30)21-15-9-10-16-22(21)27-23(29)17-28(2)25(31)20-13-7-4-8-14-20/h3-16,18H,17H2,1-2H3,(H,26,30)(H,27,29)
InChIKeyOXQQBEKCFKEMLG-UHFFFAOYSA-N
MW415.49 g/mol
LogP3.89
Rot. Bonds7

About 2-[[2-[benzoyl(methyl)amino]acetyl]amino]-N-(1-phenylethyl)benzamide

2-[[2-[benzoyl(methyl)amino]acetyl]amino]-N-(1-phenylethyl)benzamide (PubChem CID 42949097) has the molecular formula C25H25N3O3 and a molecular weight of 415.49 g/mol. Its IUPAC name is 2-[[2-[benzoyl(methyl)amino]acetyl]amino]-N-(1-phenylethyl)benzamide.

Molecular Properties

Compound Name2-[[2-[benzoyl(methyl)amino]acetyl]amino]-N-(1-phenylethyl)benzamide
PubChem CID42949097
Molecular FormulaC25H25N3O3
Molecular Weight415.49 g/mol
Exact Mass415.19
IUPAC Name2-[[2-[benzoyl(methyl)amino]acetyl]amino]-N-(1-phenylethyl)benzamide
SMILESCC(NC(=O)c1ccccc1NC(=O)CN(C)C(=O)c1ccccc1)c1ccccc1
InChIInChI=1S/C25H25N3O3/c1-18(19-11-5-3-6-12-19)26-24(30)21-15-9-10-16-22(21)27-23(29)17-28(2)25(31)20-13-7-4-8-14-20/h3-16,18H,17H2,1-2H3,(H,26,30)(H,27,29)
InChIKeyOXQQBEKCFKEMLG-UHFFFAOYSA-N
XLogP3.89
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.49
LogP ≤ 53.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3-chloropropanoylamino)-N-(1-phenylethyl)benzamide
CID 4157890
2-[(2-phenylacetyl)amino]-N-[(1S)-1-phenylethyl]benzamide
CID 1210513
2-[[2-[ethyl-[2-oxo-2-(propan-2-ylamino)ethyl]amino]acetyl]amino]-N-(1-phenylethyl)benzamide
CID 42913741
2-[[2-[N-(dimethylsulfamoyl)anilino]acetyl]amino]-N-(1-phenylethyl)benzamide
CID 17201173
N-methyl-N-[2-oxo-2-[4-(1-phenylethylamino)anilino]ethyl]benzamide
CID 48500520
2-(hexanoylamino)-N-[(1S)-1-phenylethyl]benzamide
CID 9240215
N-[(1R)-1-phenylethyl]-2-[[2-(4-phenylphenyl)acetyl]amino]benzamide
CID 100515353
2-[[2-(2-methylphenyl)acetyl]amino]-N-(1-phenylethyl)benzamide
CID 16557303
2-[3-(4-fluorophenyl)propanoylamino]-N-[(1S)-1-phenylethyl]benzamide
CID 92540793
2-[3-(4-fluorophenyl)propanoylamino]-N-[(1R)-1-phenylethyl]benzamide
CID 92540792
2-[[2-[(4-methoxyphenyl)sulfonyl-methylamino]acetyl]amino]-N-[(1S)-1-phenylethyl]benzamide
CID 31471529
2-[[2-(4-aminophenyl)acetyl]amino]-N-(1-phenylethyl)benzamide
CID 54795752

Frequently Asked Questions

What is the IUPAC name of 2-[[2-[benzoyl(methyl)amino]acetyl]amino]-N-(1-phenylethyl)benzamide?
The IUPAC name of 2-[[2-[benzoyl(methyl)amino]acetyl]amino]-N-(1-phenylethyl)benzamide (CID 42949097) is 2-[[2-[benzoyl(methyl)amino]acetyl]amino]-N-(1-phenylethyl)benzamide.
What is the SMILES notation for 2-[[2-[benzoyl(methyl)amino]acetyl]amino]-N-(1-phenylethyl)benzamide?
The canonical SMILES for 2-[[2-[benzoyl(methyl)amino]acetyl]amino]-N-(1-phenylethyl)benzamide is CC(NC(=O)c1ccccc1NC(=O)CN(C)C(=O)c1ccccc1)c1ccccc1.
What is the InChIKey of 2-[[2-[benzoyl(methyl)amino]acetyl]amino]-N-(1-phenylethyl)benzamide?
The InChIKey is OXQQBEKCFKEMLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25N3O3/c1-18(19-11-5-3-6-12-19)26-24(30)21-15-9-10-16-22(21)27-23(29)17-28(2)25(31)20-13-7-4-8-14-20/h3-16,18H,17H2,1-2H3,(H,26,30)(H,27,29).
What are the key properties of 2-[[2-[benzoyl(methyl)amino]acetyl]amino]-N-(1-phenylethyl)benzamide?
2-[[2-[benzoyl(methyl)amino]acetyl]amino]-N-(1-phenylethyl)benzamide has a molecular weight of 415.49 g/mol, XLogP of 3.89, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-[benzoyl(methyl)amino]acetyl]amino]-N-(1-phenylethyl)benzamide is sourced from PubChem (CID 42949097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).