2-cyano-2-methyl-N-[2-methyl-2-(2-methylphenyl)propyl]propanamide

C16H22N2O — CID 115175277

IUPAC2-cyano-2-methyl-N-[2-methyl-2-(2-methylphenyl)propyl]propanamide
SMILESCc1ccccc1C(C)(C)CNC(=O)C(C)(C)C#N
InChIInChI=1S/C16H22N2O/c1-12-8-6-7-9-13(12)16(4,5)11-18-14(19)15(2,3)10-17/h6-9H,11H2,1-5H3,(H,18,19)
InChIKeyDNXPSEFTYLTPED-UHFFFAOYSA-N
MW258.37 g/mol
LogP2.94
Rot. Bonds4

About 2-cyano-2-methyl-N-[2-methyl-2-(2-methylphenyl)propyl]propanamide

2-cyano-2-methyl-N-[2-methyl-2-(2-methylphenyl)propyl]propanamide (PubChem CID 115175277) has the molecular formula C16H22N2O and a molecular weight of 258.37 g/mol. Its IUPAC name is 2-cyano-2-methyl-N-[2-methyl-2-(2-methylphenyl)propyl]propanamide.

Molecular Properties

Compound Name2-cyano-2-methyl-N-[2-methyl-2-(2-methylphenyl)propyl]propanamide
PubChem CID115175277
Molecular FormulaC16H22N2O
Molecular Weight258.37 g/mol
Exact Mass258.17
IUPAC Name2-cyano-2-methyl-N-[2-methyl-2-(2-methylphenyl)propyl]propanamide
SMILESCc1ccccc1C(C)(C)CNC(=O)C(C)(C)C#N
InChIInChI=1S/C16H22N2O/c1-12-8-6-7-9-13(12)16(4,5)11-18-14(19)15(2,3)10-17/h6-9H,11H2,1-5H3,(H,18,19)
InChIKeyDNXPSEFTYLTPED-UHFFFAOYSA-N
XLogP2.94
TPSA52.89 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.37
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2-Phenylethyl)propanamide
CID 94894
N-(2-Phenylethyl)-isobutyramide
CID 290550
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CID 2906692
2-Cyano-N-(2-phenylethyl)acetamide
CID 261414
cis-(1R,2S)-N-(cyanomethyl)-2-[(Z)-2-phenylethenyl]cyclohexane-1-carboxamide
CID 44406951
2-cyano-N-(3-phenylpropyl)acetamide
CID 4295697
(S)-2-amino-N-((S)-1-cyano-2-phenylethyl)butanamide
CID 11736400
n-(2-Phenylethyl)butanamide
CID 221995
2-methyl-N-(2-phenylethyl)butanamide
CID 2905151
3-Methyl-n-(2-phenylethyl)butanamide
CID 3551002
N-phenylethylpivalamide
CID 546250
N-[2-(cyclohexen-1-yl)-2-phenylpentyl]acetamide
CID 278462

Frequently Asked Questions

What is the IUPAC name of 2-cyano-2-methyl-N-[2-methyl-2-(2-methylphenyl)propyl]propanamide?
The IUPAC name of 2-cyano-2-methyl-N-[2-methyl-2-(2-methylphenyl)propyl]propanamide (CID 115175277) is 2-cyano-2-methyl-N-[2-methyl-2-(2-methylphenyl)propyl]propanamide.
What is the SMILES notation for 2-cyano-2-methyl-N-[2-methyl-2-(2-methylphenyl)propyl]propanamide?
The canonical SMILES for 2-cyano-2-methyl-N-[2-methyl-2-(2-methylphenyl)propyl]propanamide is Cc1ccccc1C(C)(C)CNC(=O)C(C)(C)C#N.
What is the InChIKey of 2-cyano-2-methyl-N-[2-methyl-2-(2-methylphenyl)propyl]propanamide?
The InChIKey is DNXPSEFTYLTPED-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O/c1-12-8-6-7-9-13(12)16(4,5)11-18-14(19)15(2,3)10-17/h6-9H,11H2,1-5H3,(H,18,19).
What are the key properties of 2-cyano-2-methyl-N-[2-methyl-2-(2-methylphenyl)propyl]propanamide?
2-cyano-2-methyl-N-[2-methyl-2-(2-methylphenyl)propyl]propanamide has a molecular weight of 258.37 g/mol, XLogP of 2.94, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyano-2-methyl-N-[2-methyl-2-(2-methylphenyl)propyl]propanamide is sourced from PubChem (CID 115175277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).