N,2-diphenylbutanamide

C16H17NO — CID 2886316

IUPACN,2-diphenylbutanamide
SMILESCCC(C(=O)Nc1ccccc1)c1ccccc1
InChIInChI=1S/C16H17NO/c1-2-15(13-9-5-3-6-10-13)16(18)17-14-11-7-4-8-12-14/h3-12,15H,2H2,1H3,(H,17,18)
InChIKeyBDKOFTGODYDQOQ-UHFFFAOYSA-N
MW239.32 g/mol
LogP3.82
Rot. Bonds4

About N,2-diphenylbutanamide

N,2-diphenylbutanamide (PubChem CID 2886316) has the molecular formula C16H17NO and a molecular weight of 239.32 g/mol. Its IUPAC name is N,2-diphenylbutanamide.

Molecular Properties

Compound NameN,2-diphenylbutanamide
PubChem CID2886316
Molecular FormulaC16H17NO
Molecular Weight239.32 g/mol
Exact Mass239.13
IUPAC NameN,2-diphenylbutanamide
SMILESCCC(C(=O)Nc1ccccc1)c1ccccc1
InChIInChI=1S/C16H17NO/c1-2-15(13-9-5-3-6-10-13)16(18)17-14-11-7-4-8-12-14/h3-12,15H,2H2,1H3,(H,17,18)
InChIKeyBDKOFTGODYDQOQ-UHFFFAOYSA-N
XLogP3.82
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.32
LogP ≤ 53.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N,2-diphenylbutanamide?
The IUPAC name of N,2-diphenylbutanamide (CID 2886316) is N,2-diphenylbutanamide.
What is the SMILES notation for N,2-diphenylbutanamide?
The canonical SMILES for N,2-diphenylbutanamide is CCC(C(=O)Nc1ccccc1)c1ccccc1.
What is the InChIKey of N,2-diphenylbutanamide?
The InChIKey is BDKOFTGODYDQOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17NO/c1-2-15(13-9-5-3-6-10-13)16(18)17-14-11-7-4-8-12-14/h3-12,15H,2H2,1H3,(H,17,18).
What are the key properties of N,2-diphenylbutanamide?
N,2-diphenylbutanamide has a molecular weight of 239.32 g/mol, XLogP of 3.82, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,2-diphenylbutanamide is sourced from PubChem (CID 2886316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).