N-(cyanomethyl)-4-methyl-2-phenylpentanamide

C14H18N2O — CID 173145638

IUPACN-(cyanomethyl)-4-methyl-2-phenylpentanamide
SMILESCC(C)CC(C(=O)NCC#N)c1ccccc1
InChIInChI=1S/C14H18N2O/c1-11(2)10-13(14(17)16-9-8-15)12-6-4-3-5-7-12/h3-7,11,13H,9-10H2,1-2H3,(H,16,17)
InChIKeyCSFQKOOZRNVCMH-UHFFFAOYSA-N
MW230.31 g/mol
LogP2.46
Rot. Bonds5

About N-(cyanomethyl)-4-methyl-2-phenylpentanamide

N-(cyanomethyl)-4-methyl-2-phenylpentanamide (PubChem CID 173145638) has the molecular formula C14H18N2O and a molecular weight of 230.31 g/mol. Its IUPAC name is N-(cyanomethyl)-4-methyl-2-phenylpentanamide.

Molecular Properties

Compound NameN-(cyanomethyl)-4-methyl-2-phenylpentanamide
PubChem CID173145638
Molecular FormulaC14H18N2O
Molecular Weight230.31 g/mol
Exact Mass230.14
IUPAC NameN-(cyanomethyl)-4-methyl-2-phenylpentanamide
SMILESCC(C)CC(C(=O)NCC#N)c1ccccc1
InChIInChI=1S/C14H18N2O/c1-11(2)10-13(14(17)16-9-8-15)12-6-4-3-5-7-12/h3-7,11,13H,9-10H2,1-2H3,(H,16,17)
InChIKeyCSFQKOOZRNVCMH-UHFFFAOYSA-N
XLogP2.46
TPSA52.89 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.31
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cyanamide', 'substructure': 'N/A'}

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Related Compounds

2-[3-(4-aminophenyl)phenyl]-N-(cyanomethyl)-4-methylpentanamide
CID 18628689
2-[3-[3,5-bis(trifluoromethyl)phenyl]phenyl]-N-(cyanomethyl)-4-methylpentanamide
CID 18628809
N-(cyanomethyl)-4-methyl-2-[3-(4-methylsulfonylphenyl)phenyl]pentanamide
CID 18628717
N-(cyanomethyl)-2-hydroxy-2-phenylacetamide
CID 103687126
2-amino-N-(cyanomethyl)-2-phenylacetamide
CID 61253687
N-(cyanomethyl)-2-[3-(4,5-dichloro-1H-imidazol-2-yl)phenyl]-4-methylpentanamide
CID 18628746
N-(cyanomethyl)-2-[3-(1H-indol-5-yl)phenyl]-4-methylpentanamide
CID 10154619
tert-butyl N-[4-[3-[1-(cyanomethylamino)-4-methyl-1-oxopentan-2-yl]phenyl]phenyl]carbamate
CID 18628712
4-methyl-2-phenylpentanoate
CID 22376993
(2R)-N-(cyanomethyl)-4-methyl-2-[3-[4-[(pyridin-2-ylmethylamino)methyl]phenyl]phenyl]pentanamide
CID 59040852
tert-butyl N-[4-[3-[1-(cyanomethylamino)-4-methyl-1-oxopentan-2-yl]phenyl]phenyl]-N-methylcarbamate
CID 87717486
tert-butyl N-[5-[3-[1-(cyanomethylamino)-4-methyl-1-oxopentan-2-yl]phenyl]pyrimidin-2-yl]-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate
CID 18628847

Frequently Asked Questions

What is the IUPAC name of N-(cyanomethyl)-4-methyl-2-phenylpentanamide?
The IUPAC name of N-(cyanomethyl)-4-methyl-2-phenylpentanamide (CID 173145638) is N-(cyanomethyl)-4-methyl-2-phenylpentanamide.
What is the SMILES notation for N-(cyanomethyl)-4-methyl-2-phenylpentanamide?
The canonical SMILES for N-(cyanomethyl)-4-methyl-2-phenylpentanamide is CC(C)CC(C(=O)NCC#N)c1ccccc1.
What is the InChIKey of N-(cyanomethyl)-4-methyl-2-phenylpentanamide?
The InChIKey is CSFQKOOZRNVCMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O/c1-11(2)10-13(14(17)16-9-8-15)12-6-4-3-5-7-12/h3-7,11,13H,9-10H2,1-2H3,(H,16,17).
What are the key properties of N-(cyanomethyl)-4-methyl-2-phenylpentanamide?
N-(cyanomethyl)-4-methyl-2-phenylpentanamide has a molecular weight of 230.31 g/mol, XLogP of 2.46, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyanomethyl)-4-methyl-2-phenylpentanamide is sourced from PubChem (CID 173145638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).