1-cyano-N-methyl-N-[2-(4-methylphenyl)ethyl]cyclopropane-1-carboxamide

C15H18N2O — CID 115181721

IUPAC1-cyano-N-methyl-N-[2-(4-methylphenyl)ethyl]cyclopropane-1-carboxamide
SMILESCc1ccc(CCN(C)C(=O)C2(C#N)CC2)cc1
InChIInChI=1S/C15H18N2O/c1-12-3-5-13(6-4-12)7-10-17(2)14(18)15(11-16)8-9-15/h3-6H,7-10H2,1-2H3
InChIKeyUPLSLUCKAMHPCQ-UHFFFAOYSA-N
MW242.32 g/mol
LogP2.30
Rot. Bonds4

About 1-cyano-N-methyl-N-[2-(4-methylphenyl)ethyl]cyclopropane-1-carboxamide

1-cyano-N-methyl-N-[2-(4-methylphenyl)ethyl]cyclopropane-1-carboxamide (PubChem CID 115181721) has the molecular formula C15H18N2O and a molecular weight of 242.32 g/mol. Its IUPAC name is 1-cyano-N-methyl-N-[2-(4-methylphenyl)ethyl]cyclopropane-1-carboxamide.

Molecular Properties

Compound Name1-cyano-N-methyl-N-[2-(4-methylphenyl)ethyl]cyclopropane-1-carboxamide
PubChem CID115181721
Molecular FormulaC15H18N2O
Molecular Weight242.32 g/mol
Exact Mass242.14
IUPAC Name1-cyano-N-methyl-N-[2-(4-methylphenyl)ethyl]cyclopropane-1-carboxamide
SMILESCc1ccc(CCN(C)C(=O)C2(C#N)CC2)cc1
InChIInChI=1S/C15H18N2O/c1-12-3-5-13(6-4-12)7-10-17(2)14(18)15(11-16)8-9-15/h3-6H,7-10H2,1-2H3
InChIKeyUPLSLUCKAMHPCQ-UHFFFAOYSA-N
XLogP2.30
TPSA44.10 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.32
LogP ≤ 52.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-cyano-N-[2-(2,3-dihydro-1H-inden-5-yl)ethyl]-N-methylcyclopropane-1-carboxamide
CID 115181731
1-cyano-N-methyl-N-(2-pyridin-3-ylethyl)cyclopropane-1-carboxamide
CID 115181752
1-cyano-N-methyl-N-[2-(4-methylphenyl)ethyl]formamide
CID 115172601
1-cyano-N-methyl-N-[2-(2-methylphenyl)ethyl]cyclobutane-1-carboxamide
CID 115183394
1-cyano-N-[2-(2-fluorophenyl)ethyl]-N-methylcyclopropane-1-carboxamide
CID 115181749
1-cyano-N-[2-(3-fluorophenyl)ethyl]-N-methylcyclobutane-1-carboxamide
CID 115183397
1-cyano-N-methyl-N-propylcyclopropane-1-carboxamide
CID 80598123
N-[(4-chlorophenyl)methyl]-1-cyano-N-methylcyclopropane-1-carboxamide
CID 80597882
2-cyano-N,3-dimethyl-N-[2-(4-methylphenyl)ethyl]butanamide
CID 115188667
N-[2-(5-bromothiophen-2-yl)ethyl]-1-cyano-N-methylcyclobutane-1-carboxamide
CID 115183388
1-cyano-N-methyl-N-(3,3,3-trifluoropropyl)cyclopropane-1-carboxamide
CID 80593205
N-[2-(4-ethylphenyl)ethyl]-1-(hydroxymethyl)-N-methylcyclopropane-1-carboxamide
CID 115182438

Frequently Asked Questions

What is the IUPAC name of 1-cyano-N-methyl-N-[2-(4-methylphenyl)ethyl]cyclopropane-1-carboxamide?
The IUPAC name of 1-cyano-N-methyl-N-[2-(4-methylphenyl)ethyl]cyclopropane-1-carboxamide (CID 115181721) is 1-cyano-N-methyl-N-[2-(4-methylphenyl)ethyl]cyclopropane-1-carboxamide.
What is the SMILES notation for 1-cyano-N-methyl-N-[2-(4-methylphenyl)ethyl]cyclopropane-1-carboxamide?
The canonical SMILES for 1-cyano-N-methyl-N-[2-(4-methylphenyl)ethyl]cyclopropane-1-carboxamide is Cc1ccc(CCN(C)C(=O)C2(C#N)CC2)cc1.
What is the InChIKey of 1-cyano-N-methyl-N-[2-(4-methylphenyl)ethyl]cyclopropane-1-carboxamide?
The InChIKey is UPLSLUCKAMHPCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O/c1-12-3-5-13(6-4-12)7-10-17(2)14(18)15(11-16)8-9-15/h3-6H,7-10H2,1-2H3.
What are the key properties of 1-cyano-N-methyl-N-[2-(4-methylphenyl)ethyl]cyclopropane-1-carboxamide?
1-cyano-N-methyl-N-[2-(4-methylphenyl)ethyl]cyclopropane-1-carboxamide has a molecular weight of 242.32 g/mol, XLogP of 2.30, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyano-N-methyl-N-[2-(4-methylphenyl)ethyl]cyclopropane-1-carboxamide is sourced from PubChem (CID 115181721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).