2-cyano-N-[2-(3,4-dimethylphenyl)-2-methylpropyl]acetamide

C15H20N2O — CID 115173409

IUPAC2-cyano-N-[2-(3,4-dimethylphenyl)-2-methylpropyl]acetamide
SMILESCc1ccc(C(C)(C)CNC(=O)CC#N)cc1C
InChIInChI=1S/C15H20N2O/c1-11-5-6-13(9-12(11)2)15(3,4)10-17-14(18)7-8-16/h5-6,9H,7,10H2,1-4H3,(H,17,18)
InChIKeyKWFFQDQNWGOMNK-UHFFFAOYSA-N
MW244.34 g/mol
LogP2.61
Rot. Bonds4

About 2-cyano-N-[2-(3,4-dimethylphenyl)-2-methylpropyl]acetamide

2-cyano-N-[2-(3,4-dimethylphenyl)-2-methylpropyl]acetamide (PubChem CID 115173409) has the molecular formula C15H20N2O and a molecular weight of 244.34 g/mol. Its IUPAC name is 2-cyano-N-[2-(3,4-dimethylphenyl)-2-methylpropyl]acetamide.

Molecular Properties

Compound Name2-cyano-N-[2-(3,4-dimethylphenyl)-2-methylpropyl]acetamide
PubChem CID115173409
Molecular FormulaC15H20N2O
Molecular Weight244.34 g/mol
Exact Mass244.16
IUPAC Name2-cyano-N-[2-(3,4-dimethylphenyl)-2-methylpropyl]acetamide
SMILESCc1ccc(C(C)(C)CNC(=O)CC#N)cc1C
InChIInChI=1S/C15H20N2O/c1-11-5-6-13(9-12(11)2)15(3,4)10-17-14(18)7-8-16/h5-6,9H,7,10H2,1-4H3,(H,17,18)
InChIKeyKWFFQDQNWGOMNK-UHFFFAOYSA-N
XLogP2.61
TPSA52.89 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.34
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[2-(3,4-dimethylphenyl)-2-methylpropyl]-2-(ethylamino)acetamide
CID 115158146
N-[2-(3-bromophenyl)-2-methylpropyl]-2-cyanoacetamide
CID 115173449
2-cyano-N-[2-(2,4-dimethylphenyl)-2-methylpropyl]acetamide
CID 115173418
2-cyano-N-(2-methyl-2-pyridin-3-ylpropyl)acetamide
CID 115173451
2-cyano-N-[2-(2-methoxy-5-methylphenyl)-2-methylpropyl]acetamide
CID 115173415
1-cyano-N-[2-(4-fluoro-3-methylphenyl)-2-methylpropyl]formamide
CID 115172758
2-cyano-N-[2-(2,5-difluorophenyl)-2-methylpropyl]acetamide
CID 115173428
2-cyano-N-(3,4-dimethylphenyl)acetamide
CID 2345033
4-[[2-(3,4-dimethylphenyl)-2-methylpropyl]amino]butanenitrile
CID 115232107
2-cyano-N-[[2-methyl-4-(trifluoromethyl)phenyl]methyl]acetamide
CID 99830862
2-cyano-N-[2-(2,4,5-trimethylphenyl)ethyl]acetamide
CID 115173278
3,4-dimethyl-N-(2-methyl-2-phenylpropyl)benzamide
CID 113090275

Frequently Asked Questions

What is the IUPAC name of 2-cyano-N-[2-(3,4-dimethylphenyl)-2-methylpropyl]acetamide?
The IUPAC name of 2-cyano-N-[2-(3,4-dimethylphenyl)-2-methylpropyl]acetamide (CID 115173409) is 2-cyano-N-[2-(3,4-dimethylphenyl)-2-methylpropyl]acetamide.
What is the SMILES notation for 2-cyano-N-[2-(3,4-dimethylphenyl)-2-methylpropyl]acetamide?
The canonical SMILES for 2-cyano-N-[2-(3,4-dimethylphenyl)-2-methylpropyl]acetamide is Cc1ccc(C(C)(C)CNC(=O)CC#N)cc1C.
What is the InChIKey of 2-cyano-N-[2-(3,4-dimethylphenyl)-2-methylpropyl]acetamide?
The InChIKey is KWFFQDQNWGOMNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O/c1-11-5-6-13(9-12(11)2)15(3,4)10-17-14(18)7-8-16/h5-6,9H,7,10H2,1-4H3,(H,17,18).
What are the key properties of 2-cyano-N-[2-(3,4-dimethylphenyl)-2-methylpropyl]acetamide?
2-cyano-N-[2-(3,4-dimethylphenyl)-2-methylpropyl]acetamide has a molecular weight of 244.34 g/mol, XLogP of 2.61, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyano-N-[2-(3,4-dimethylphenyl)-2-methylpropyl]acetamide is sourced from PubChem (CID 115173409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).