2-cyano-N-methyl-N-pentan-3-yl-2-phenylacetamide

C15H20N2O — CID 62877708

IUPAC2-cyano-N-methyl-N-pentan-3-yl-2-phenylacetamide
SMILESCCC(CC)N(C)C(=O)C(C#N)c1ccccc1
InChIInChI=1S/C15H20N2O/c1-4-13(5-2)17(3)15(18)14(11-16)12-9-7-6-8-10-12/h6-10,13-14H,4-5H2,1-3H3
InChIKeyCRZLGLIOOLVUMK-UHFFFAOYSA-N
MW244.34 g/mol
LogP2.94
Rot. Bonds5

About 2-cyano-N-methyl-N-pentan-3-yl-2-phenylacetamide

2-cyano-N-methyl-N-pentan-3-yl-2-phenylacetamide (PubChem CID 62877708) has the molecular formula C15H20N2O and a molecular weight of 244.34 g/mol. Its IUPAC name is 2-cyano-N-methyl-N-pentan-3-yl-2-phenylacetamide.

Molecular Properties

Compound Name2-cyano-N-methyl-N-pentan-3-yl-2-phenylacetamide
PubChem CID62877708
Molecular FormulaC15H20N2O
Molecular Weight244.34 g/mol
Exact Mass244.16
IUPAC Name2-cyano-N-methyl-N-pentan-3-yl-2-phenylacetamide
SMILESCCC(CC)N(C)C(=O)C(C#N)c1ccccc1
InChIInChI=1S/C15H20N2O/c1-4-13(5-2)17(3)15(18)14(11-16)12-9-7-6-8-10-12/h6-10,13-14H,4-5H2,1-3H3
InChIKeyCRZLGLIOOLVUMK-UHFFFAOYSA-N
XLogP2.94
TPSA44.10 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
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

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Related Compounds

(2S)-2-amino-N-methyl-N-pentan-3-yl-2-phenylacetamide
CID 93248514
2-cyano-N-methyl-N-pentyl-2-phenylacetamide
CID 62877008
2-cyano-N-[2-(dimethylamino)-2-oxoethyl]-N-methyl-2-phenylacetamide
CID 62877874
2-cyano-N-[2-(dimethylamino)-2-oxoethyl]-2-phenyl-N-propylacetamide
CID 62878774
2-cyano-N-(4-methoxyphenyl)-N-methyl-2-phenylacetamide
CID 62879005
2-cyano-N-methyl-2-phenyl-N-(2-propan-2-yloxyethyl)acetamide
CID 81056043
(2R)-2-cyano-2-phenylacetic acid
CID 6999087
2-cyano-N-ethyl-2-phenylacetamide
CID 62877347
N-(2-amino-2-oxoethyl)-N-butyl-2-cyano-2-phenylacetamide
CID 62878068
2-cyano-N-methyl-N-(1-methylsulfanylbutan-2-yl)-3-phenylpropanamide
CID 115985802
(2S)-4-methyl-3-oxo-2-phenylpentanenitrile
CID 92981009
2-cyano-N-(2-hydroxycyclohexyl)-N-methyl-2-phenylacetamide
CID 102632131

Frequently Asked Questions

What is the IUPAC name of 2-cyano-N-methyl-N-pentan-3-yl-2-phenylacetamide?
The IUPAC name of 2-cyano-N-methyl-N-pentan-3-yl-2-phenylacetamide (CID 62877708) is 2-cyano-N-methyl-N-pentan-3-yl-2-phenylacetamide.
What is the SMILES notation for 2-cyano-N-methyl-N-pentan-3-yl-2-phenylacetamide?
The canonical SMILES for 2-cyano-N-methyl-N-pentan-3-yl-2-phenylacetamide is CCC(CC)N(C)C(=O)C(C#N)c1ccccc1.
What is the InChIKey of 2-cyano-N-methyl-N-pentan-3-yl-2-phenylacetamide?
The InChIKey is CRZLGLIOOLVUMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O/c1-4-13(5-2)17(3)15(18)14(11-16)12-9-7-6-8-10-12/h6-10,13-14H,4-5H2,1-3H3.
What are the key properties of 2-cyano-N-methyl-N-pentan-3-yl-2-phenylacetamide?
2-cyano-N-methyl-N-pentan-3-yl-2-phenylacetamide has a molecular weight of 244.34 g/mol, XLogP of 2.94, 5 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-pentan-3-yl-2-phenylacetamide is sourced from PubChem (CID 62877708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).