4-phenyl-N-(2-phenylethyl)butanamide;propane

C21H29NO — CID 143447835

IUPAC4-phenyl-N-(2-phenylethyl)butanamide;propane
SMILESCCC.O=C(CCCc1ccccc1)NCCc1ccccc1
InChIInChI=1S/C18H21NO.C3H8/c20-18(13-7-12-16-8-3-1-4-9-16)19-15-14-17-10-5-2-6-11-17;1-3-2/h1-6,8-11H,7,12-15H2,(H,19,20);3H2,1-2H3
InChIKeyAVGQGFWNIYWHQM-UHFFFAOYSA-N
MW311.47 g/mol
LogP4.78
Rot. Bonds7

About 4-phenyl-N-(2-phenylethyl)butanamide;propane

4-phenyl-N-(2-phenylethyl)butanamide;propane (PubChem CID 143447835) has the molecular formula C21H29NO and a molecular weight of 311.47 g/mol. Its IUPAC name is 4-phenyl-N-(2-phenylethyl)butanamide;propane.

Molecular Properties

Compound Name4-phenyl-N-(2-phenylethyl)butanamide;propane
PubChem CID143447835
Molecular FormulaC21H29NO
Molecular Weight311.47 g/mol
Exact Mass311.22
IUPAC Name4-phenyl-N-(2-phenylethyl)butanamide;propane
SMILESCCC.O=C(CCCc1ccccc1)NCCc1ccccc1
InChIInChI=1S/C18H21NO.C3H8/c20-18(13-7-12-16-8-3-1-4-9-16)19-15-14-17-10-5-2-6-11-17;1-3-2/h1-6,8-11H,7,12-15H2,(H,19,20);3H2,1-2H3
InChIKeyAVGQGFWNIYWHQM-UHFFFAOYSA-N
XLogP4.78
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.47
LogP ≤ 54.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[2-(4-fluorophenyl)ethyl]-4-phenylbutanamide
CID 2288121
5-oxo-N-(2-phenylethyl)octanamide
CID 90063979
4-phenyl-N-[2-(propylamino)ethyl]butanamide
CID 62659370
N-(4-phenylbutyl)hexanamide
CID 4985988
4-[4-oxo-4-(2-phenylethylamino)butyl]benzenesulfonic acid
CID 23037515
N-(2-phenylethyl)-4-pyridin-3-ylbutanamide
CID 110410890
N-(2-phenylethyl)-4-trimethoxysilylbutanamide
CID 174613430
5-(4-bromophenyl)-N-(2-phenylethyl)pentanamide
CID 55752390
methyl 8-oxo-8-(2-phenylethylamino)octanoate
CID 42600200
ethyl N-[4-oxo-4-(2-phenylethylamino)butyl]carbamate
CID 72946782
8-(4-phenylbutanoylamino)octanoic acid
CID 71129906
6-chloro-N-(2-phenylethyl)hexanamide
CID 154710700

Frequently Asked Questions

What is the IUPAC name of 4-phenyl-N-(2-phenylethyl)butanamide;propane?
The IUPAC name of 4-phenyl-N-(2-phenylethyl)butanamide;propane (CID 143447835) is 4-phenyl-N-(2-phenylethyl)butanamide;propane.
What is the SMILES notation for 4-phenyl-N-(2-phenylethyl)butanamide;propane?
The canonical SMILES for 4-phenyl-N-(2-phenylethyl)butanamide;propane is CCC.O=C(CCCc1ccccc1)NCCc1ccccc1.
What is the InChIKey of 4-phenyl-N-(2-phenylethyl)butanamide;propane?
The InChIKey is AVGQGFWNIYWHQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21NO.C3H8/c20-18(13-7-12-16-8-3-1-4-9-16)19-15-14-17-10-5-2-6-11-17;1-3-2/h1-6,8-11H,7,12-15H2,(H,19,20);3H2,1-2H3.
What are the key properties of 4-phenyl-N-(2-phenylethyl)butanamide;propane?
4-phenyl-N-(2-phenylethyl)butanamide;propane has a molecular weight of 311.47 g/mol, XLogP of 4.78, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-phenyl-N-(2-phenylethyl)butanamide;propane is sourced from PubChem (CID 143447835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).