1-cyano-N-[2-(2,4,6-trimethylphenyl)ethyl]cyclopropane-1-carboxamide

C16H20N2O — CID 115181683

IUPAC1-cyano-N-[2-(2,4,6-trimethylphenyl)ethyl]cyclopropane-1-carboxamide
SMILESCc1cc(C)c(CCNC(=O)C2(C#N)CC2)c(C)c1
InChIInChI=1S/C16H20N2O/c1-11-8-12(2)14(13(3)9-11)4-7-18-15(19)16(10-17)5-6-16/h8-9H,4-7H2,1-3H3,(H,18,19)
InChIKeyWTDBSYIVLDWSTK-UHFFFAOYSA-N
MW256.35 g/mol
LogP2.57
Rot. Bonds4

About 1-cyano-N-[2-(2,4,6-trimethylphenyl)ethyl]cyclopropane-1-carboxamide

1-cyano-N-[2-(2,4,6-trimethylphenyl)ethyl]cyclopropane-1-carboxamide (PubChem CID 115181683) has the molecular formula C16H20N2O and a molecular weight of 256.35 g/mol. Its IUPAC name is 1-cyano-N-[2-(2,4,6-trimethylphenyl)ethyl]cyclopropane-1-carboxamide.

Molecular Properties

Compound Name1-cyano-N-[2-(2,4,6-trimethylphenyl)ethyl]cyclopropane-1-carboxamide
PubChem CID115181683
Molecular FormulaC16H20N2O
Molecular Weight256.35 g/mol
Exact Mass256.16
IUPAC Name1-cyano-N-[2-(2,4,6-trimethylphenyl)ethyl]cyclopropane-1-carboxamide
SMILESCc1cc(C)c(CCNC(=O)C2(C#N)CC2)c(C)c1
InChIInChI=1S/C16H20N2O/c1-11-8-12(2)14(13(3)9-11)4-7-18-15(19)16(10-17)5-6-16/h8-9H,4-7H2,1-3H3,(H,18,19)
InChIKeyWTDBSYIVLDWSTK-UHFFFAOYSA-N
XLogP2.57
TPSA52.89 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.35
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(S)-2-amino-N-((S)-2-biphenyl-4-yl-1-cyano-ethyl)-butyramide
CID 11771234
N-(2,4,5-Trimethylbenzyl)-acetamide
CID 295549
2-Cyano-3,3-dimethyl-N-(3-phenyl-propyl)-butyramide
CID 44288459
2-Cyano-3,3-dimethyl-N-(1-methyl-3-phenyl-propyl)-butyramide
CID 44288540
N-[1-[4-[2-(4-tert-butyl-2-cyanophenyl)ethynyl]phenyl]propan-2-yl]acetamide
CID 68191412
2-cyano-N-[1-(2,5-dimethylphenyl)ethyl]acetamide
CID 16189762
N-[2-(4-tert-butyl-2,6-dimethylphenyl)ethyl]-2-methylcyclopropane-1-carboxamide
CID 45842773
Nonanamide, N-(3,4-dimethylbenzyl)-
CID 58976
N-(2-Aminoethyl)-4-(1,1-dimethylethyl)-2,6-dimethylbenzeneacetamide
CID 216413
2-cyano-3-(2,4-dimethylphenyl)-N-octylprop-2-enamide
CID 2364647
2,2,3,3-tetramethyl-N-(2-phenylpropyl)cyclopropane-1-carboxamide
CID 44586593
1-cyano-N-(4-fluorophenethyl)cyclopropanecarboxamide
CID 49670486

Frequently Asked Questions

What is the IUPAC name of 1-cyano-N-[2-(2,4,6-trimethylphenyl)ethyl]cyclopropane-1-carboxamide?
The IUPAC name of 1-cyano-N-[2-(2,4,6-trimethylphenyl)ethyl]cyclopropane-1-carboxamide (CID 115181683) is 1-cyano-N-[2-(2,4,6-trimethylphenyl)ethyl]cyclopropane-1-carboxamide.
What is the SMILES notation for 1-cyano-N-[2-(2,4,6-trimethylphenyl)ethyl]cyclopropane-1-carboxamide?
The canonical SMILES for 1-cyano-N-[2-(2,4,6-trimethylphenyl)ethyl]cyclopropane-1-carboxamide is Cc1cc(C)c(CCNC(=O)C2(C#N)CC2)c(C)c1.
What is the InChIKey of 1-cyano-N-[2-(2,4,6-trimethylphenyl)ethyl]cyclopropane-1-carboxamide?
The InChIKey is WTDBSYIVLDWSTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O/c1-11-8-12(2)14(13(3)9-11)4-7-18-15(19)16(10-17)5-6-16/h8-9H,4-7H2,1-3H3,(H,18,19).
What are the key properties of 1-cyano-N-[2-(2,4,6-trimethylphenyl)ethyl]cyclopropane-1-carboxamide?
1-cyano-N-[2-(2,4,6-trimethylphenyl)ethyl]cyclopropane-1-carboxamide has a molecular weight of 256.35 g/mol, XLogP of 2.57, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyano-N-[2-(2,4,6-trimethylphenyl)ethyl]cyclopropane-1-carboxamide is sourced from PubChem (CID 115181683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).