2-cyano-N-methyl-N-pentyl-2-phenylacetamide

C15H20N2O — CID 62877008

IUPAC2-cyano-N-methyl-N-pentyl-2-phenylacetamide
SMILESCCCCCN(C)C(=O)C(C#N)c1ccccc1
InChIInChI=1S/C15H20N2O/c1-3-4-8-11-17(2)15(18)14(12-16)13-9-6-5-7-10-13/h5-7,9-10,14H,3-4,8,11H2,1-2H3
InChIKeyWJVCTAXHCCTGMN-UHFFFAOYSA-N
MW244.34 g/mol
LogP2.94
Rot. Bonds6

About 2-cyano-N-methyl-N-pentyl-2-phenylacetamide

2-cyano-N-methyl-N-pentyl-2-phenylacetamide (PubChem CID 62877008) has the molecular formula C15H20N2O and a molecular weight of 244.34 g/mol. Its IUPAC name is 2-cyano-N-methyl-N-pentyl-2-phenylacetamide.

Molecular Properties

Compound Name2-cyano-N-methyl-N-pentyl-2-phenylacetamide
PubChem CID62877008
Molecular FormulaC15H20N2O
Molecular Weight244.34 g/mol
Exact Mass244.16
IUPAC Name2-cyano-N-methyl-N-pentyl-2-phenylacetamide
SMILESCCCCCN(C)C(=O)C(C#N)c1ccccc1
InChIInChI=1S/C15H20N2O/c1-3-4-8-11-17(2)15(18)14(12-16)13-9-6-5-7-10-13/h5-7,9-10,14H,3-4,8,11H2,1-2H3
InChIKeyWJVCTAXHCCTGMN-UHFFFAOYSA-N
XLogP2.94
TPSA44.10 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.34
LogP ≤ 52.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-methyl-N-pentyl-2-phenylpropanamide
CID 90809964
4-(dipentylamino)-3-oxo-2-phenylbutanenitrile
CID 19245457
2-cyano-N-methyl-2-phenyl-N-(2-propan-2-yloxyethyl)acetamide
CID 81056043
2-cyano-N-[2-(dimethylamino)-2-oxoethyl]-N-methyl-2-phenylacetamide
CID 62877874
N-(2-amino-2-oxoethyl)-N-butyl-2-cyano-2-phenylacetamide
CID 62878068
2-cyano-N-methyl-N-pentan-3-yl-2-phenylacetamide
CID 62877708
2-cyano-N-[2-(dimethylamino)-2-oxoethyl]-2-phenyl-N-propylacetamide
CID 62878774
N-butyl-3-cyano-N-methyl-3-phenylpropanamide
CID 112511367
(2R)-2-cyano-2-phenylacetic acid
CID 6999087
2-cyano-N-ethyl-2-phenylacetamide
CID 62877347
4-[methyl(2-phenylpentanoyl)amino]butanoic acid
CID 119172838
N-[3-[benzyl(methyl)amino]propyl]-2-cyano-2-phenylacetamide
CID 113230171

Frequently Asked Questions

What is the IUPAC name of 2-cyano-N-methyl-N-pentyl-2-phenylacetamide?
The IUPAC name of 2-cyano-N-methyl-N-pentyl-2-phenylacetamide (CID 62877008) is 2-cyano-N-methyl-N-pentyl-2-phenylacetamide.
What is the SMILES notation for 2-cyano-N-methyl-N-pentyl-2-phenylacetamide?
The canonical SMILES for 2-cyano-N-methyl-N-pentyl-2-phenylacetamide is CCCCCN(C)C(=O)C(C#N)c1ccccc1.
What is the InChIKey of 2-cyano-N-methyl-N-pentyl-2-phenylacetamide?
The InChIKey is WJVCTAXHCCTGMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O/c1-3-4-8-11-17(2)15(18)14(12-16)13-9-6-5-7-10-13/h5-7,9-10,14H,3-4,8,11H2,1-2H3.
What are the key properties of 2-cyano-N-methyl-N-pentyl-2-phenylacetamide?
2-cyano-N-methyl-N-pentyl-2-phenylacetamide has a molecular weight of 244.34 g/mol, XLogP of 2.94, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyano-N-methyl-N-pentyl-2-phenylacetamide is sourced from PubChem (CID 62877008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).