N-benzyl-4-phenylbutanamide

C17H19NO — CID 836344

IUPACN-benzyl-4-phenylbutanamide
SMILESO=C(CCCc1ccccc1)NCc1ccccc1
InChIInChI=1S/C17H19NO/c19-17(18-14-16-10-5-2-6-11-16)13-7-12-15-8-3-1-4-9-15/h1-6,8-11H,7,12-14H2,(H,18,19)
InChIKeyKEJVNASKYBEZQN-UHFFFAOYSA-N
MW253.35 g/mol
LogP3.33
Rot. Bonds6

About N-benzyl-4-phenylbutanamide

N-benzyl-4-phenylbutanamide (PubChem CID 836344) has the molecular formula C17H19NO and a molecular weight of 253.35 g/mol. Its IUPAC name is N-benzyl-4-phenylbutanamide.

Molecular Properties

Compound NameN-benzyl-4-phenylbutanamide
PubChem CID836344
Molecular FormulaC17H19NO
Molecular Weight253.35 g/mol
Exact Mass253.15
IUPAC NameN-benzyl-4-phenylbutanamide
SMILESO=C(CCCc1ccccc1)NCc1ccccc1
InChIInChI=1S/C17H19NO/c19-17(18-14-16-10-5-2-6-11-16)13-7-12-15-8-3-1-4-9-15/h1-6,8-11H,7,12-14H2,(H,18,19)
InChIKeyKEJVNASKYBEZQN-UHFFFAOYSA-N
XLogP3.33
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.35
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-benzyl-4-phenylbutanamide?
The IUPAC name of N-benzyl-4-phenylbutanamide (CID 836344) is N-benzyl-4-phenylbutanamide.
What is the SMILES notation for N-benzyl-4-phenylbutanamide?
The canonical SMILES for N-benzyl-4-phenylbutanamide is O=C(CCCc1ccccc1)NCc1ccccc1.
What is the InChIKey of N-benzyl-4-phenylbutanamide?
The InChIKey is KEJVNASKYBEZQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19NO/c19-17(18-14-16-10-5-2-6-11-16)13-7-12-15-8-3-1-4-9-15/h1-6,8-11H,7,12-14H2,(H,18,19).
What are the key properties of N-benzyl-4-phenylbutanamide?
N-benzyl-4-phenylbutanamide has a molecular weight of 253.35 g/mol, XLogP of 3.33, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-4-phenylbutanamide is sourced from PubChem (CID 836344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).