N-benzyl-N-methyl-2-(2-phenylbutanoylamino)benzamide

C25H26N2O2 — CID 17311793

IUPACN-benzyl-N-methyl-2-(2-phenylbutanoylamino)benzamide
SMILESCCC(C(=O)Nc1ccccc1C(=O)N(C)Cc1ccccc1)c1ccccc1
InChIInChI=1S/C25H26N2O2/c1-3-21(20-14-8-5-9-15-20)24(28)26-23-17-11-10-16-22(23)25(29)27(2)18-19-12-6-4-7-13-19/h4-17,21H,3,18H2,1-2H3,(H,26,28)
InChIKeyAMOBHGAISGCPHE-UHFFFAOYSA-N
MW386.50 g/mol
LogP5.09
Rot. Bonds7

About N-benzyl-N-methyl-2-(2-phenylbutanoylamino)benzamide

N-benzyl-N-methyl-2-(2-phenylbutanoylamino)benzamide (PubChem CID 17311793) has the molecular formula C25H26N2O2 and a molecular weight of 386.50 g/mol. Its IUPAC name is N-benzyl-N-methyl-2-(2-phenylbutanoylamino)benzamide.

Molecular Properties

Compound NameN-benzyl-N-methyl-2-(2-phenylbutanoylamino)benzamide
PubChem CID17311793
Molecular FormulaC25H26N2O2
Molecular Weight386.50 g/mol
Exact Mass386.20
IUPAC NameN-benzyl-N-methyl-2-(2-phenylbutanoylamino)benzamide
SMILESCCC(C(=O)Nc1ccccc1C(=O)N(C)Cc1ccccc1)c1ccccc1
InChIInChI=1S/C25H26N2O2/c1-3-21(20-14-8-5-9-15-20)24(28)26-23-17-11-10-16-22(23)25(29)27(2)18-19-12-6-4-7-13-19/h4-17,21H,3,18H2,1-2H3,(H,26,28)
InChIKeyAMOBHGAISGCPHE-UHFFFAOYSA-N
XLogP5.09
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500386.50
LogP ≤ 55.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-benzyl-N-methyl-2-(2-methylpropanoylamino)benzamide
CID 30336748
N-benzyl-2-(3,3-diphenylpropanoylamino)-N-methylbenzamide
CID 17311665
2-[[(2R)-2-phenylbutanoyl]amino]benzoate
CID 6957947
N-benzyl-2-[(2-methoxyacetyl)amino]-N-methylbenzamide
CID 17311924
N-benzyl-N-methyl-2-(propanoylcarbamothioylamino)benzamide
CID 4937547
N-[2-[benzyl(methyl)carbamoyl]phenyl]naphthalene-1-carboxamide
CID 30337138
(2R)-N-(2-fluorophenyl)-2-phenylbutanamide
CID 7313846
N-(2-fluorophenyl)-2-phenylbutanamide
CID 3897268
N-(4-fluorophenyl)-2-[[(2S)-2-phenylbutanoyl]amino]benzamide
CID 7312055
N-benzyl-2-[(4-tert-butylbenzoyl)amino]-N-methylbenzamide
CID 4937393
(2S)-N-[4-[benzyl(methyl)amino]but-2-ynyl]-2-phenylbutanamide
CID 95985585
(2R)-N-[4-[benzyl(methyl)amino]but-2-ynyl]-2-phenylbutanamide
CID 95985586

Frequently Asked Questions

What is the IUPAC name of N-benzyl-N-methyl-2-(2-phenylbutanoylamino)benzamide?
The IUPAC name of N-benzyl-N-methyl-2-(2-phenylbutanoylamino)benzamide (CID 17311793) is N-benzyl-N-methyl-2-(2-phenylbutanoylamino)benzamide.
What is the SMILES notation for N-benzyl-N-methyl-2-(2-phenylbutanoylamino)benzamide?
The canonical SMILES for N-benzyl-N-methyl-2-(2-phenylbutanoylamino)benzamide is CCC(C(=O)Nc1ccccc1C(=O)N(C)Cc1ccccc1)c1ccccc1.
What is the InChIKey of N-benzyl-N-methyl-2-(2-phenylbutanoylamino)benzamide?
The InChIKey is AMOBHGAISGCPHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26N2O2/c1-3-21(20-14-8-5-9-15-20)24(28)26-23-17-11-10-16-22(23)25(29)27(2)18-19-12-6-4-7-13-19/h4-17,21H,3,18H2,1-2H3,(H,26,28).
What are the key properties of N-benzyl-N-methyl-2-(2-phenylbutanoylamino)benzamide?
N-benzyl-N-methyl-2-(2-phenylbutanoylamino)benzamide has a molecular weight of 386.50 g/mol, XLogP of 5.09, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-N-methyl-2-(2-phenylbutanoylamino)benzamide is sourced from PubChem (CID 17311793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).