N-(cyanomethyl)-4-methyl-2-(4-phenylphenyl)pentanamide

C20H22N2O — CID 18628679

IUPACN-(cyanomethyl)-4-methyl-2-(4-phenylphenyl)pentanamide
SMILESCC(C)CC(C(=O)NCC#N)c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C20H22N2O/c1-15(2)14-19(20(23)22-13-12-21)18-10-8-17(9-11-18)16-6-4-3-5-7-16/h3-11,15,19H,13-14H2,1-2H3,(H,22,23)
InChIKeyACUIHGJHWPHNRR-UHFFFAOYSA-N
MW306.41 g/mol
LogP4.12
Rot. Bonds6

About N-(cyanomethyl)-4-methyl-2-(4-phenylphenyl)pentanamide

N-(cyanomethyl)-4-methyl-2-(4-phenylphenyl)pentanamide (PubChem CID 18628679) has the molecular formula C20H22N2O and a molecular weight of 306.41 g/mol. Its IUPAC name is N-(cyanomethyl)-4-methyl-2-(4-phenylphenyl)pentanamide.

Molecular Properties

Compound NameN-(cyanomethyl)-4-methyl-2-(4-phenylphenyl)pentanamide
PubChem CID18628679
Molecular FormulaC20H22N2O
Molecular Weight306.41 g/mol
Exact Mass306.17
IUPAC NameN-(cyanomethyl)-4-methyl-2-(4-phenylphenyl)pentanamide
SMILESCC(C)CC(C(=O)NCC#N)c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C20H22N2O/c1-15(2)14-19(20(23)22-13-12-21)18-10-8-17(9-11-18)16-6-4-3-5-7-16/h3-11,15,19H,13-14H2,1-2H3,(H,22,23)
InChIKeyACUIHGJHWPHNRR-UHFFFAOYSA-N
XLogP4.12
TPSA52.89 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.41
LogP ≤ 54.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(cyanomethyl)-4-methyl-2-(4-phenylphenyl)pentanamide?
The IUPAC name of N-(cyanomethyl)-4-methyl-2-(4-phenylphenyl)pentanamide (CID 18628679) is N-(cyanomethyl)-4-methyl-2-(4-phenylphenyl)pentanamide.
What is the SMILES notation for N-(cyanomethyl)-4-methyl-2-(4-phenylphenyl)pentanamide?
The canonical SMILES for N-(cyanomethyl)-4-methyl-2-(4-phenylphenyl)pentanamide is CC(C)CC(C(=O)NCC#N)c1ccc(-c2ccccc2)cc1.
What is the InChIKey of N-(cyanomethyl)-4-methyl-2-(4-phenylphenyl)pentanamide?
The InChIKey is ACUIHGJHWPHNRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N2O/c1-15(2)14-19(20(23)22-13-12-21)18-10-8-17(9-11-18)16-6-4-3-5-7-16/h3-11,15,19H,13-14H2,1-2H3,(H,22,23).
What are the key properties of N-(cyanomethyl)-4-methyl-2-(4-phenylphenyl)pentanamide?
N-(cyanomethyl)-4-methyl-2-(4-phenylphenyl)pentanamide has a molecular weight of 306.41 g/mol, XLogP of 4.12, 6 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-(4-phenylphenyl)pentanamide is sourced from PubChem (CID 18628679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).