2-cyano-N,N-dimethyl-3-(4-propan-2-ylphenyl)propanamide

C15H20N2O — CID 82118131

IUPAC2-cyano-N,N-dimethyl-3-(4-propan-2-ylphenyl)propanamide
SMILESCC(C)c1ccc(CC(C#N)C(=O)N(C)C)cc1
InChIInChI=1S/C15H20N2O/c1-11(2)13-7-5-12(6-8-13)9-14(10-16)15(18)17(3)4/h5-8,11,14H,9H2,1-4H3
InChIKeyXTQIUXWNKRSRCF-UHFFFAOYSA-N
MW244.34 g/mol
LogP2.58
Rot. Bonds4

About 2-cyano-N,N-dimethyl-3-(4-propan-2-ylphenyl)propanamide

2-cyano-N,N-dimethyl-3-(4-propan-2-ylphenyl)propanamide (PubChem CID 82118131) has the molecular formula C15H20N2O and a molecular weight of 244.34 g/mol. Its IUPAC name is 2-cyano-N,N-dimethyl-3-(4-propan-2-ylphenyl)propanamide.

Molecular Properties

Compound Name2-cyano-N,N-dimethyl-3-(4-propan-2-ylphenyl)propanamide
PubChem CID82118131
Molecular FormulaC15H20N2O
Molecular Weight244.34 g/mol
Exact Mass244.16
IUPAC Name2-cyano-N,N-dimethyl-3-(4-propan-2-ylphenyl)propanamide
SMILESCC(C)c1ccc(CC(C#N)C(=O)N(C)C)cc1
InChIInChI=1S/C15H20N2O/c1-11(2)13-7-5-12(6-8-13)9-14(10-16)15(18)17(3)4/h5-8,11,14H,9H2,1-4H3
InChIKeyXTQIUXWNKRSRCF-UHFFFAOYSA-N
XLogP2.58
TPSA44.10 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.34
LogP ≤ 52.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

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2-(4-Cyano-phenyl)-N-methyl-N-(2-methyl-1-pyrrolidin-1-ylmethyl-propyl)-acetamide
CID 15130811
N-hydroxy-2-(4-isobutylphenyl)-N-methylpropanamide
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N-hydroxy-3-(4-isobutylphenyl)-N-methylpropanamide
CID 44307290
N-hydroxy-2-(4-isobutylphenyl)-N-methylacetamide
CID 44307535
N-Hydroxy-2-(4-isobutyl-phenyl)-N-methyl-butyramide
CID 44386939
2-Biphenyl-4-yl-N,N-dimethyl-propionamide
CID 44373938
2-(4-isobutylphenyl)-N-methoxy-N-methylpropanamide
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N,N-diethyl-3-phenylpropanamide
CID 309574

Frequently Asked Questions

What is the IUPAC name of 2-cyano-N,N-dimethyl-3-(4-propan-2-ylphenyl)propanamide?
The IUPAC name of 2-cyano-N,N-dimethyl-3-(4-propan-2-ylphenyl)propanamide (CID 82118131) is 2-cyano-N,N-dimethyl-3-(4-propan-2-ylphenyl)propanamide.
What is the SMILES notation for 2-cyano-N,N-dimethyl-3-(4-propan-2-ylphenyl)propanamide?
The canonical SMILES for 2-cyano-N,N-dimethyl-3-(4-propan-2-ylphenyl)propanamide is CC(C)c1ccc(CC(C#N)C(=O)N(C)C)cc1.
What is the InChIKey of 2-cyano-N,N-dimethyl-3-(4-propan-2-ylphenyl)propanamide?
The InChIKey is XTQIUXWNKRSRCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O/c1-11(2)13-7-5-12(6-8-13)9-14(10-16)15(18)17(3)4/h5-8,11,14H,9H2,1-4H3.
What are the key properties of 2-cyano-N,N-dimethyl-3-(4-propan-2-ylphenyl)propanamide?
2-cyano-N,N-dimethyl-3-(4-propan-2-ylphenyl)propanamide has a molecular weight of 244.34 g/mol, XLogP of 2.58, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyano-N,N-dimethyl-3-(4-propan-2-ylphenyl)propanamide is sourced from PubChem (CID 82118131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).