2-phenyl-N-(2-phenylethyl)butanamide

C18H21NO — CID 2905215

IUPAC2-phenyl-N-(2-phenylethyl)butanamide
SMILESCCC(C(=O)NCCc1ccccc1)c1ccccc1
InChIInChI=1S/C18H21NO/c1-2-17(16-11-7-4-8-12-16)18(20)19-14-13-15-9-5-3-6-10-15/h3-12,17H,2,13-14H2,1H3,(H,19,20)
InChIKeyAAGUMKOIXWDPIV-UHFFFAOYSA-N
MW267.37 g/mol
LogP3.54
Rot. Bonds6

About 2-phenyl-N-(2-phenylethyl)butanamide

2-phenyl-N-(2-phenylethyl)butanamide (PubChem CID 2905215) has the molecular formula C18H21NO and a molecular weight of 267.37 g/mol. Its IUPAC name is 2-phenyl-N-(2-phenylethyl)butanamide.

Molecular Properties

Compound Name2-phenyl-N-(2-phenylethyl)butanamide
PubChem CID2905215
Molecular FormulaC18H21NO
Molecular Weight267.37 g/mol
Exact Mass267.16
IUPAC Name2-phenyl-N-(2-phenylethyl)butanamide
SMILESCCC(C(=O)NCCc1ccccc1)c1ccccc1
InChIInChI=1S/C18H21NO/c1-2-17(16-11-7-4-8-12-16)18(20)19-14-13-15-9-5-3-6-10-15/h3-12,17H,2,13-14H2,1H3,(H,19,20)
InChIKeyAAGUMKOIXWDPIV-UHFFFAOYSA-N
XLogP3.54
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.37
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-phenyl-N-(2-phenylethyl)butanamide?
The IUPAC name of 2-phenyl-N-(2-phenylethyl)butanamide (CID 2905215) is 2-phenyl-N-(2-phenylethyl)butanamide.
What is the SMILES notation for 2-phenyl-N-(2-phenylethyl)butanamide?
The canonical SMILES for 2-phenyl-N-(2-phenylethyl)butanamide is CCC(C(=O)NCCc1ccccc1)c1ccccc1.
What is the InChIKey of 2-phenyl-N-(2-phenylethyl)butanamide?
The InChIKey is AAGUMKOIXWDPIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21NO/c1-2-17(16-11-7-4-8-12-16)18(20)19-14-13-15-9-5-3-6-10-15/h3-12,17H,2,13-14H2,1H3,(H,19,20).
What are the key properties of 2-phenyl-N-(2-phenylethyl)butanamide?
2-phenyl-N-(2-phenylethyl)butanamide has a molecular weight of 267.37 g/mol, XLogP of 3.54, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-N-(2-phenylethyl)butanamide is sourced from PubChem (CID 2905215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).