cis-(1R,2R)-N-(2-cyanophenyl)-2-(4-methylpentyl)cyclopropane-1-carboxamide

C17H22N2O — CID 832649

IUPACcis-(1R,2R)-N-(2-cyanophenyl)-2-(4-methylpentyl)cyclopropane-1-carboxamide
SMILESCC(C)CCC[C@@H]1C[C@H]1C(=O)Nc1ccccc1C#N
InChIInChI=1S/C17H22N2O/c1-12(2)6-5-8-13-10-15(13)17(20)19-16-9-4-3-7-14(16)11-18/h3-4,7,9,12-13,15H,5-6,8,10H2,1-2H3,(H,19,20)/t13-,15-/m1/s1
InChIKeyOBRNFXBCMFGYFD-UKRRQHHQSA-N
MW270.38 g/mol
LogP3.96
Rot. Bonds6

About cis-(1R,2R)-N-(2-cyanophenyl)-2-(4-methylpentyl)cyclopropane-1-carboxamide

cis-(1R,2R)-N-(2-cyanophenyl)-2-(4-methylpentyl)cyclopropane-1-carboxamide (PubChem CID 832649) has the molecular formula C17H22N2O and a molecular weight of 270.38 g/mol. Its IUPAC name is cis-(1R,2R)-N-(2-cyanophenyl)-2-(4-methylpentyl)cyclopropane-1-carboxamide.

Molecular Properties

Compound Namecis-(1R,2R)-N-(2-cyanophenyl)-2-(4-methylpentyl)cyclopropane-1-carboxamide
PubChem CID832649
Molecular FormulaC17H22N2O
Molecular Weight270.38 g/mol
Exact Mass270.17
IUPAC Namecis-(1R,2R)-N-(2-cyanophenyl)-2-(4-methylpentyl)cyclopropane-1-carboxamide
SMILESCC(C)CCC[C@@H]1C[C@H]1C(=O)Nc1ccccc1C#N
InChIInChI=1S/C17H22N2O/c1-12(2)6-5-8-13-10-15(13)17(20)19-16-9-4-3-7-14(16)11-18/h3-4,7,9,12-13,15H,5-6,8,10H2,1-2H3,(H,19,20)/t13-,15-/m1/s1
InChIKeyOBRNFXBCMFGYFD-UKRRQHHQSA-N
XLogP3.96
TPSA52.89 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.38
LogP ≤ 53.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze cis-(1R,2R)-N-(2-cyanophenyl)-2-(4-methylpentyl)cyclopropane-1-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(2-cyanophenyl)-2-(hydroxymethyl)cyclohexane-1-carboxamide
CID 82120953
N-(2-cyanophenyl)-2-(4-methylpentoxy)acetamide
CID 29001628
N-(2-cyanophenyl)-2-phenylcyclopropane-1-carboxamide
CID 3093789
2-N-(2-cyanophenyl)-1-N-(2,6-dimethylphenyl)cyclopropane-1,2-dicarboxamide
CID 109141896
1-N-(2-cyanophenyl)-2-N-cyclopropylcyclopropane-1,2-dicarboxamide
CID 109131004
N-(2-cyanophenyl)-3-(3-methylbutylsulfanyl)propanamide
CID 107749554
trans-(1R,2S)-2-(3-methylbutyl)-N-[4-methyl-3-[[(1R,2S)-2-(3-methylbutyl)cyclopropanecarbonyl]amino]phenyl]cyclopropane-1-carboxamide
CID 40530124
1-N-(2-cyanophenyl)-2-N-(2,4-dichlorophenyl)cyclopropane-1,2-dicarboxamide
CID 109144163
1-N-(2-cyanophenyl)-2-N-[4-(diethylamino)phenyl]cyclopropane-1,2-dicarboxamide
CID 109143947
cis-(1R,2R)-2-butyl-N-[5-[[(1R,2S)-2-butylcyclopropanecarbonyl]amino]naphthalen-1-yl]cyclopropane-1-carboxamide
CID 7430895
2-N-(4-bromophenyl)-1-N-(2-cyanophenyl)cyclopropane-1,2-dicarboxamide
CID 109143302
1-N-benzyl-2-N-(2-cyanophenyl)-1-N-methylcyclopropane-1,2-dicarboxamide
CID 109135868

Frequently Asked Questions

What is the IUPAC name of cis-(1R,2R)-N-(2-cyanophenyl)-2-(4-methylpentyl)cyclopropane-1-carboxamide?
The IUPAC name of cis-(1R,2R)-N-(2-cyanophenyl)-2-(4-methylpentyl)cyclopropane-1-carboxamide (CID 832649) is cis-(1R,2R)-N-(2-cyanophenyl)-2-(4-methylpentyl)cyclopropane-1-carboxamide.
What is the SMILES notation for cis-(1R,2R)-N-(2-cyanophenyl)-2-(4-methylpentyl)cyclopropane-1-carboxamide?
The canonical SMILES for cis-(1R,2R)-N-(2-cyanophenyl)-2-(4-methylpentyl)cyclopropane-1-carboxamide is CC(C)CCC[C@@H]1C[C@H]1C(=O)Nc1ccccc1C#N.
What is the InChIKey of cis-(1R,2R)-N-(2-cyanophenyl)-2-(4-methylpentyl)cyclopropane-1-carboxamide?
The InChIKey is OBRNFXBCMFGYFD-UKRRQHHQSA-N. The full InChI is InChI=1S/C17H22N2O/c1-12(2)6-5-8-13-10-15(13)17(20)19-16-9-4-3-7-14(16)11-18/h3-4,7,9,12-13,15H,5-6,8,10H2,1-2H3,(H,19,20)/t13-,15-/m1/s1.
What are the key properties of cis-(1R,2R)-N-(2-cyanophenyl)-2-(4-methylpentyl)cyclopropane-1-carboxamide?
cis-(1R,2R)-N-(2-cyanophenyl)-2-(4-methylpentyl)cyclopropane-1-carboxamide has a molecular weight of 270.38 g/mol, XLogP of 3.96, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1R,2R)-N-(2-cyanophenyl)-2-(4-methylpentyl)cyclopropane-1-carboxamide is sourced from PubChem (CID 832649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).