1-cyano-N-[2-(2,3,4-trimethylphenyl)ethyl]cyclopropane-1-carboxamide

C16H20N2O — CID 115181711

IUPAC1-cyano-N-[2-(2,3,4-trimethylphenyl)ethyl]cyclopropane-1-carboxamide
SMILESCc1ccc(CCNC(=O)C2(C#N)CC2)c(C)c1C
InChIInChI=1S/C16H20N2O/c1-11-4-5-14(13(3)12(11)2)6-9-18-15(19)16(10-17)7-8-16/h4-5H,6-9H2,1-3H3,(H,18,19)
InChIKeyQZEOUCQEGCOVHL-UHFFFAOYSA-N
MW256.35 g/mol
LogP2.57
Rot. Bonds4

About 1-cyano-N-[2-(2,3,4-trimethylphenyl)ethyl]cyclopropane-1-carboxamide

1-cyano-N-[2-(2,3,4-trimethylphenyl)ethyl]cyclopropane-1-carboxamide (PubChem CID 115181711) has the molecular formula C16H20N2O and a molecular weight of 256.35 g/mol. Its IUPAC name is 1-cyano-N-[2-(2,3,4-trimethylphenyl)ethyl]cyclopropane-1-carboxamide.

Molecular Properties

Compound Name1-cyano-N-[2-(2,3,4-trimethylphenyl)ethyl]cyclopropane-1-carboxamide
PubChem CID115181711
Molecular FormulaC16H20N2O
Molecular Weight256.35 g/mol
Exact Mass256.16
IUPAC Name1-cyano-N-[2-(2,3,4-trimethylphenyl)ethyl]cyclopropane-1-carboxamide
SMILESCc1ccc(CCNC(=O)C2(C#N)CC2)c(C)c1C
InChIInChI=1S/C16H20N2O/c1-11-4-5-14(13(3)12(11)2)6-9-18-15(19)16(10-17)7-8-16/h4-5H,6-9H2,1-3H3,(H,18,19)
InChIKeyQZEOUCQEGCOVHL-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

1-cyano-N-[2-(2,4,6-trimethylphenyl)ethyl]cyclopropane-1-carboxamide
CID 115181683
1-cyano-N-[2-(3-methylphenyl)ethyl]cyclobutane-1-carboxamide
CID 78994342
N-[2-(1-benzofuran-3-yl)ethyl]-1-cyanocyclobutane-1-carboxamide
CID 115183377
1-cyano-N-[2-(2,5-difluorophenyl)ethyl]cyclobutane-1-carboxamide
CID 115183365
4-hydroxy-N-[2-(2,3,4-trimethylphenyl)ethyl]butanamide
CID 115163128
1-cyano-N-[(2,4-dimethylphenyl)methyl]cyclopentane-1-carboxamide
CID 47162656
1-cyano-N-[(4-ethylphenyl)methyl]cyclopropane-1-carboxamide
CID 106899829
2-(propan-2-ylamino)-N-[2-(2,3,4-trimethylphenyl)ethyl]acetamide
CID 115158323
1-[2-(2,3,4-trimethylphenyl)ethylamino]propan-2-one
CID 115235084
3-chloro-N-[2-(2,3,4-trimethylphenyl)ethyl]propanamide
CID 115162661
2-methyl-3-oxo-3-[2-(2,3,4-trimethylphenyl)ethylamino]propanoic acid
CID 115164361
N-[(5-bromo-2-methylphenyl)methyl]-1-cyanocyclobutane-1-carboxamide
CID 115183329

Frequently Asked Questions

What is the IUPAC name of 1-cyano-N-[2-(2,3,4-trimethylphenyl)ethyl]cyclopropane-1-carboxamide?
The IUPAC name of 1-cyano-N-[2-(2,3,4-trimethylphenyl)ethyl]cyclopropane-1-carboxamide (CID 115181711) is 1-cyano-N-[2-(2,3,4-trimethylphenyl)ethyl]cyclopropane-1-carboxamide.
What is the SMILES notation for 1-cyano-N-[2-(2,3,4-trimethylphenyl)ethyl]cyclopropane-1-carboxamide?
The canonical SMILES for 1-cyano-N-[2-(2,3,4-trimethylphenyl)ethyl]cyclopropane-1-carboxamide is Cc1ccc(CCNC(=O)C2(C#N)CC2)c(C)c1C.
What is the InChIKey of 1-cyano-N-[2-(2,3,4-trimethylphenyl)ethyl]cyclopropane-1-carboxamide?
The InChIKey is QZEOUCQEGCOVHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O/c1-11-4-5-14(13(3)12(11)2)6-9-18-15(19)16(10-17)7-8-16/h4-5H,6-9H2,1-3H3,(H,18,19).
What are the key properties of 1-cyano-N-[2-(2,3,4-trimethylphenyl)ethyl]cyclopropane-1-carboxamide?
1-cyano-N-[2-(2,3,4-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-(2,3,4-trimethylphenyl)ethyl]cyclopropane-1-carboxamide is sourced from PubChem (CID 115181711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).