2-[benzyl-(2-phenylacetyl)amino]-N-butan-2-ylbutanamide

C23H30N2O2 — CID 132701684

IUPAC2-[benzyl-(2-phenylacetyl)amino]-N-butan-2-ylbutanamide
SMILESCCC(C)NC(=O)C(CC)N(Cc1ccccc1)C(=O)Cc1ccccc1
InChIInChI=1S/C23H30N2O2/c1-4-18(3)24-23(27)21(5-2)25(17-20-14-10-7-11-15-20)22(26)16-19-12-8-6-9-13-19/h6-15,18,21H,4-5,16-17H2,1-3H3,(H,24,27)
InChIKeyXFEXSZPETQAEGZ-UHFFFAOYSA-N
MW366.50 g/mol
LogP3.95
Rot. Bonds9

About 2-[benzyl-(2-phenylacetyl)amino]-N-butan-2-ylbutanamide

2-[benzyl-(2-phenylacetyl)amino]-N-butan-2-ylbutanamide (PubChem CID 132701684) has the molecular formula C23H30N2O2 and a molecular weight of 366.50 g/mol. Its IUPAC name is 2-[benzyl-(2-phenylacetyl)amino]-N-butan-2-ylbutanamide.

Molecular Properties

Compound Name2-[benzyl-(2-phenylacetyl)amino]-N-butan-2-ylbutanamide
PubChem CID132701684
Molecular FormulaC23H30N2O2
Molecular Weight366.50 g/mol
Exact Mass366.23
IUPAC Name2-[benzyl-(2-phenylacetyl)amino]-N-butan-2-ylbutanamide
SMILESCCC(C)NC(=O)C(CC)N(Cc1ccccc1)C(=O)Cc1ccccc1
InChIInChI=1S/C23H30N2O2/c1-4-18(3)24-23(27)21(5-2)25(17-20-14-10-7-11-15-20)22(26)16-19-12-8-6-9-13-19/h6-15,18,21H,4-5,16-17H2,1-3H3,(H,24,27)
InChIKeyXFEXSZPETQAEGZ-UHFFFAOYSA-N
XLogP3.95
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.50
LogP ≤ 53.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2S)-2-[benzyl-[2-(4-chlorophenyl)acetyl]amino]-N-[(2R)-butan-2-yl]butanamide
CID 100647914
(2S)-2-[benzyl-[2-(4-chlorophenyl)acetyl]amino]-N-[(2S)-butan-2-yl]butanamide
CID 100647928
(2S)-N-[(2R)-butan-2-yl]-2-[(4-chlorophenyl)methyl-(2-phenylacetyl)amino]butanamide
CID 100698696
(2S)-N-[(2S)-butan-2-yl]-2-[(2-chlorophenyl)methyl-(2-phenylacetyl)amino]butanamide
CID 100688197
(2R)-N-[(2S)-butan-2-yl]-2-[[2-(4-chlorophenyl)acetyl]-[(4-chlorophenyl)methyl]amino]butanamide
CID 100703797
(2R)-N-[(2R)-butan-2-yl]-2-[(2,6-dichlorophenyl)methyl-(2-phenylacetyl)amino]butanamide
CID 100735474
(2R)-N-[(2R)-butan-2-yl]-2-[[2-(3-methylphenyl)acetyl]-[(3-methylphenyl)methyl]amino]butanamide
CID 100677148
(2S)-2-[benzyl-(2-phenoxyacetyl)amino]-N-[(2R)-butan-2-yl]butanamide
CID 100640479
N-butan-2-yl-2-[(2-fluorophenyl)methyl-(2-phenylacetyl)amino]-3-phenylpropanamide
CID 133233836
(2R)-N-[(2R)-butan-2-yl]-2-[[2-(4-chlorophenyl)acetyl]-[(4-methylphenyl)methyl]amino]butanamide
CID 100683112
(2R)-2-[benzyl(3-benzylsulfanylpropanoyl)amino]-N-[(2R)-butan-2-yl]butanamide
CID 100650111
(2S)-N-[(2R)-butan-2-yl]-2-[[2-(2-methylphenyl)acetyl]-[(4-methylphenyl)methyl]amino]butanamide
CID 100687714

Frequently Asked Questions

What is the IUPAC name of 2-[benzyl-(2-phenylacetyl)amino]-N-butan-2-ylbutanamide?
The IUPAC name of 2-[benzyl-(2-phenylacetyl)amino]-N-butan-2-ylbutanamide (CID 132701684) is 2-[benzyl-(2-phenylacetyl)amino]-N-butan-2-ylbutanamide.
What is the SMILES notation for 2-[benzyl-(2-phenylacetyl)amino]-N-butan-2-ylbutanamide?
The canonical SMILES for 2-[benzyl-(2-phenylacetyl)amino]-N-butan-2-ylbutanamide is CCC(C)NC(=O)C(CC)N(Cc1ccccc1)C(=O)Cc1ccccc1.
What is the InChIKey of 2-[benzyl-(2-phenylacetyl)amino]-N-butan-2-ylbutanamide?
The InChIKey is XFEXSZPETQAEGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30N2O2/c1-4-18(3)24-23(27)21(5-2)25(17-20-14-10-7-11-15-20)22(26)16-19-12-8-6-9-13-19/h6-15,18,21H,4-5,16-17H2,1-3H3,(H,24,27).
What are the key properties of 2-[benzyl-(2-phenylacetyl)amino]-N-butan-2-ylbutanamide?
2-[benzyl-(2-phenylacetyl)amino]-N-butan-2-ylbutanamide has a molecular weight of 366.50 g/mol, XLogP of 3.95, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[benzyl-(2-phenylacetyl)amino]-N-butan-2-ylbutanamide is sourced from PubChem (CID 132701684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).