N-(1-cyanobutyl)-4-phenylbutanamide

C15H20N2O — CID 61119296

IUPACN-(1-cyanobutyl)-4-phenylbutanamide
SMILESCCCC(C#N)NC(=O)CCCc1ccccc1
InChIInChI=1S/C15H20N2O/c1-2-7-14(12-16)17-15(18)11-6-10-13-8-4-3-5-9-13/h3-5,8-9,14H,2,6-7,10-11H2,1H3,(H,17,18)
InChIKeyJJHYBSDSQHLGSN-UHFFFAOYSA-N
MW244.34 g/mol
LogP2.82
Rot. Bonds7

About N-(1-cyanobutyl)-4-phenylbutanamide

N-(1-cyanobutyl)-4-phenylbutanamide (PubChem CID 61119296) has the molecular formula C15H20N2O and a molecular weight of 244.34 g/mol. Its IUPAC name is N-(1-cyanobutyl)-4-phenylbutanamide.

Molecular Properties

Compound NameN-(1-cyanobutyl)-4-phenylbutanamide
PubChem CID61119296
Molecular FormulaC15H20N2O
Molecular Weight244.34 g/mol
Exact Mass244.16
IUPAC NameN-(1-cyanobutyl)-4-phenylbutanamide
SMILESCCCC(C#N)NC(=O)CCCc1ccccc1
InChIInChI=1S/C15H20N2O/c1-2-7-14(12-16)17-15(18)11-6-10-13-8-4-3-5-9-13/h3-5,8-9,14H,2,6-7,10-11H2,1H3,(H,17,18)
InChIKeyJJHYBSDSQHLGSN-UHFFFAOYSA-N
XLogP2.82
TPSA52.89 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.34
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(1-cyanobutyl)-4-phenylbutanamide?
The IUPAC name of N-(1-cyanobutyl)-4-phenylbutanamide (CID 61119296) is N-(1-cyanobutyl)-4-phenylbutanamide.
What is the SMILES notation for N-(1-cyanobutyl)-4-phenylbutanamide?
The canonical SMILES for N-(1-cyanobutyl)-4-phenylbutanamide is CCCC(C#N)NC(=O)CCCc1ccccc1.
What is the InChIKey of N-(1-cyanobutyl)-4-phenylbutanamide?
The InChIKey is JJHYBSDSQHLGSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O/c1-2-7-14(12-16)17-15(18)11-6-10-13-8-4-3-5-9-13/h3-5,8-9,14H,2,6-7,10-11H2,1H3,(H,17,18).
What are the key properties of N-(1-cyanobutyl)-4-phenylbutanamide?
N-(1-cyanobutyl)-4-phenylbutanamide has a molecular weight of 244.34 g/mol, XLogP of 2.82, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-cyanobutyl)-4-phenylbutanamide is sourced from PubChem (CID 61119296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).