N-(1-cyano-2-methylpropyl)-4-phenylbutanamide

C15H20N2O — CID 63930626

IUPACN-(1-cyano-2-methylpropyl)-4-phenylbutanamide
SMILESCC(C)C(C#N)NC(=O)CCCc1ccccc1
InChIInChI=1S/C15H20N2O/c1-12(2)14(11-16)17-15(18)10-6-9-13-7-4-3-5-8-13/h3-5,7-8,12,14H,6,9-10H2,1-2H3,(H,17,18)
InChIKeyHFGQPAJCMZWLJF-UHFFFAOYSA-N
MW244.34 g/mol
LogP2.67
Rot. Bonds6

About N-(1-cyano-2-methylpropyl)-4-phenylbutanamide

N-(1-cyano-2-methylpropyl)-4-phenylbutanamide (PubChem CID 63930626) has the molecular formula C15H20N2O and a molecular weight of 244.34 g/mol. Its IUPAC name is N-(1-cyano-2-methylpropyl)-4-phenylbutanamide.

Molecular Properties

Compound NameN-(1-cyano-2-methylpropyl)-4-phenylbutanamide
PubChem CID63930626
Molecular FormulaC15H20N2O
Molecular Weight244.34 g/mol
Exact Mass244.16
IUPAC NameN-(1-cyano-2-methylpropyl)-4-phenylbutanamide
SMILESCC(C)C(C#N)NC(=O)CCCc1ccccc1
InChIInChI=1S/C15H20N2O/c1-12(2)14(11-16)17-15(18)10-6-9-13-7-4-3-5-8-13/h3-5,7-8,12,14H,6,9-10H2,1-2H3,(H,17,18)
InChIKeyHFGQPAJCMZWLJF-UHFFFAOYSA-N
XLogP2.67
TPSA52.89 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.34
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(1-cyanobutyl)-4-phenylbutanamide
CID 61119296
N-methyl-4-[4-(4-phenylbutyl)phenyl]butanamide
CID 58974296
N-pent-4-yn-2-yl-4-phenylbutanamide
CID 115661905
(2S)-N,4-dimethyl-2-(4-phenylbutanoylamino)pentanamide
CID 71457400
4-phenyl-N-propan-2-ylbutanamide;N-propan-2-yltetradecanamide
CID 160985746
N,N'-bis[(2R)-4-phenylbutan-2-yl]hexanediamide
CID 7406180
N-(1-cyano-2-methylpropyl)heptanamide
CID 115621038
N-methyl-9-phenylnonanamide
CID 118028570
N-(1-cyano-3-methylbutyl)-3-phenylpropanamide
CID 112511365
N-(1-cyanopropan-2-yl)-3-phenylpropanamide
CID 62089584
N-(2,6-dimethyl-3-oxoheptan-4-yl)-4-phenylbutanamide
CID 169190270
4-phenyl-N-[(1R)-1-pyridin-4-ylethyl]butanamide
CID 7346867

Frequently Asked Questions

What is the IUPAC name of N-(1-cyano-2-methylpropyl)-4-phenylbutanamide?
The IUPAC name of N-(1-cyano-2-methylpropyl)-4-phenylbutanamide (CID 63930626) is N-(1-cyano-2-methylpropyl)-4-phenylbutanamide.
What is the SMILES notation for N-(1-cyano-2-methylpropyl)-4-phenylbutanamide?
The canonical SMILES for N-(1-cyano-2-methylpropyl)-4-phenylbutanamide is CC(C)C(C#N)NC(=O)CCCc1ccccc1.
What is the InChIKey of N-(1-cyano-2-methylpropyl)-4-phenylbutanamide?
The InChIKey is HFGQPAJCMZWLJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O/c1-12(2)14(11-16)17-15(18)10-6-9-13-7-4-3-5-8-13/h3-5,7-8,12,14H,6,9-10H2,1-2H3,(H,17,18).
What are the key properties of N-(1-cyano-2-methylpropyl)-4-phenylbutanamide?
N-(1-cyano-2-methylpropyl)-4-phenylbutanamide has a molecular weight of 244.34 g/mol, XLogP of 2.67, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-cyano-2-methylpropyl)-4-phenylbutanamide is sourced from PubChem (CID 63930626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).