3-phenyl-N-(1-phenylethyl)butanamide

C18H21NO — CID 85158546

IUPAC3-phenyl-N-(1-phenylethyl)butanamide
SMILESCC(CC(=O)NC(C)c1ccccc1)c1ccccc1
InChIInChI=1S/C18H21NO/c1-14(16-9-5-3-6-10-16)13-18(20)19-15(2)17-11-7-4-8-12-17/h3-12,14-15H,13H2,1-2H3,(H,19,20)
InChIKeyJOVGTIXFLOLLTK-UHFFFAOYSA-N
MW267.37 g/mol
LogP4.06
Rot. Bonds5

About 3-phenyl-N-(1-phenylethyl)butanamide

3-phenyl-N-(1-phenylethyl)butanamide (PubChem CID 85158546) has the molecular formula C18H21NO and a molecular weight of 267.37 g/mol. Its IUPAC name is 3-phenyl-N-(1-phenylethyl)butanamide.

Molecular Properties

Compound Name3-phenyl-N-(1-phenylethyl)butanamide
PubChem CID85158546
Molecular FormulaC18H21NO
Molecular Weight267.37 g/mol
Exact Mass267.16
IUPAC Name3-phenyl-N-(1-phenylethyl)butanamide
SMILESCC(CC(=O)NC(C)c1ccccc1)c1ccccc1
InChIInChI=1S/C18H21NO/c1-14(16-9-5-3-6-10-16)13-18(20)19-15(2)17-11-7-4-8-12-17/h3-12,14-15H,13H2,1-2H3,(H,19,20)
InChIKeyJOVGTIXFLOLLTK-UHFFFAOYSA-N
XLogP4.06
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.37
LogP ≤ 54.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[1-(3,4-difluorophenyl)ethyl]-3-phenylbutanamide
CID 43000604
(2R)-2-methyl-N,N'-bis[(1R)-1-phenylethyl]butanediamide
CID 42563153
2-amino-4-oxo-4-(1-phenylethylamino)butanoic acid
CID 67359772
N-(1-phenylethyl)-3-trimethylsilylbutanamide
CID 101207602
4-amino-3-methyl-N-[(1S)-1-phenylethyl]butanamide
CID 70328531
(3S)-4,4,4-trichloro-3-hydroxy-N-[(1R)-1-phenylethyl]butanamide
CID 2412800
(3R)-3-methyl-5-oxo-5-[[(1S)-1-phenylethyl]amino]pentanoate
CID 7321191
2-methyl-3-phenyl-3-(3-phenylbutanoylamino)propanoic acid
CID 119218736
N-[(1R)-1-phenylethyl]-2-sulfanylacetamide
CID 130013972
N-[(1R)-1-phenylethyl]-2-[[(1R)-1-phenylethyl]amino]acetamide
CID 7046108
2-amino-N-(1-phenylethyl)acetamide
CID 10631169
2-fluoro-N-(1-phenylethyl)acetamide
CID 10329953

Frequently Asked Questions

What is the IUPAC name of 3-phenyl-N-(1-phenylethyl)butanamide?
The IUPAC name of 3-phenyl-N-(1-phenylethyl)butanamide (CID 85158546) is 3-phenyl-N-(1-phenylethyl)butanamide.
What is the SMILES notation for 3-phenyl-N-(1-phenylethyl)butanamide?
The canonical SMILES for 3-phenyl-N-(1-phenylethyl)butanamide is CC(CC(=O)NC(C)c1ccccc1)c1ccccc1.
What is the InChIKey of 3-phenyl-N-(1-phenylethyl)butanamide?
The InChIKey is JOVGTIXFLOLLTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21NO/c1-14(16-9-5-3-6-10-16)13-18(20)19-15(2)17-11-7-4-8-12-17/h3-12,14-15H,13H2,1-2H3,(H,19,20).
What are the key properties of 3-phenyl-N-(1-phenylethyl)butanamide?
3-phenyl-N-(1-phenylethyl)butanamide has a molecular weight of 267.37 g/mol, XLogP of 4.06, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-phenyl-N-(1-phenylethyl)butanamide is sourced from PubChem (CID 85158546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).