N-(4-methyl-2-pyrrolidin-1-ylphenyl)cyclohexanecarboxamide

C18H26N2O — CID 168512570

IUPACN-(4-methyl-2-pyrrolidin-1-ylphenyl)cyclohexanecarboxamide
SMILESCc1ccc(NC(=O)C2CCCCC2)c(N2CCCC2)c1
InChIInChI=1S/C18H26N2O/c1-14-9-10-16(17(13-14)20-11-5-6-12-20)19-18(21)15-7-3-2-4-8-15/h9-10,13,15H,2-8,11-12H2,1H3,(H,19,21)
InChIKeyIWIARSGRTVTXGU-UHFFFAOYSA-N
MW286.42 g/mol
LogP4.11
Rot. Bonds3

About N-(4-methyl-2-pyrrolidin-1-ylphenyl)cyclohexanecarboxamide

N-(4-methyl-2-pyrrolidin-1-ylphenyl)cyclohexanecarboxamide (PubChem CID 168512570) has the molecular formula C18H26N2O and a molecular weight of 286.42 g/mol. Its IUPAC name is N-(4-methyl-2-pyrrolidin-1-ylphenyl)cyclohexanecarboxamide.

Molecular Properties

Compound NameN-(4-methyl-2-pyrrolidin-1-ylphenyl)cyclohexanecarboxamide
PubChem CID168512570
Molecular FormulaC18H26N2O
Molecular Weight286.42 g/mol
Exact Mass286.20
IUPAC NameN-(4-methyl-2-pyrrolidin-1-ylphenyl)cyclohexanecarboxamide
SMILESCc1ccc(NC(=O)C2CCCCC2)c(N2CCCC2)c1
InChIInChI=1S/C18H26N2O/c1-14-9-10-16(17(13-14)20-11-5-6-12-20)19-18(21)15-7-3-2-4-8-15/h9-10,13,15H,2-8,11-12H2,1H3,(H,19,21)
InChIKeyIWIARSGRTVTXGU-UHFFFAOYSA-N
XLogP4.11
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.42
LogP ≤ 54.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2-bromo-4-methylphenyl)cyclohexanecarboxamide
CID 3728666
N-(2-chloro-5-methylphenyl)cyclohexanecarboxamide
CID 123821603
N-(2-hydroxy-5-methylphenyl)cyclopentanecarboxamide
CID 1234653
1-(2,4-dimethylphenyl)sulfonyl-N-(2-piperidin-1-ylphenyl)piperidine-4-carboxamide
CID 26520191
N-(4-amino-2-methylphenyl)cycloheptanecarboxamide
CID 55091677
N-(2,4-dimethylphenyl)cyclopropanecarboxamide
CID 5066654
N-(5-fluoro-2-pyrrolidin-1-ylphenyl)cyclobutanecarboxamide
CID 113092391
N-[5-chloro-2-(4-methylpiperazin-1-yl)phenyl]cyclohexanecarboxamide
CID 18082339
N-(4-bromo-2-methylphenyl)cyclohexanecarboxamide
CID 798737
1-N,3-N-bis(2-pyrrolidin-1-ylphenyl)cyclohexane-1,3-dicarboxamide
CID 60596479
tert-butyl 3-[(2-bromo-4-methylphenyl)carbamoyl]piperidine-1-carboxylate
CID 84554272
N-(2-fluoro-5-pyrrolidin-1-ylphenyl)cyclohexanecarboxamide
CID 110361783

Frequently Asked Questions

What is the IUPAC name of N-(4-methyl-2-pyrrolidin-1-ylphenyl)cyclohexanecarboxamide?
The IUPAC name of N-(4-methyl-2-pyrrolidin-1-ylphenyl)cyclohexanecarboxamide (CID 168512570) is N-(4-methyl-2-pyrrolidin-1-ylphenyl)cyclohexanecarboxamide.
What is the SMILES notation for N-(4-methyl-2-pyrrolidin-1-ylphenyl)cyclohexanecarboxamide?
The canonical SMILES for N-(4-methyl-2-pyrrolidin-1-ylphenyl)cyclohexanecarboxamide is Cc1ccc(NC(=O)C2CCCCC2)c(N2CCCC2)c1.
What is the InChIKey of N-(4-methyl-2-pyrrolidin-1-ylphenyl)cyclohexanecarboxamide?
The InChIKey is IWIARSGRTVTXGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N2O/c1-14-9-10-16(17(13-14)20-11-5-6-12-20)19-18(21)15-7-3-2-4-8-15/h9-10,13,15H,2-8,11-12H2,1H3,(H,19,21).
What are the key properties of N-(4-methyl-2-pyrrolidin-1-ylphenyl)cyclohexanecarboxamide?
N-(4-methyl-2-pyrrolidin-1-ylphenyl)cyclohexanecarboxamide has a molecular weight of 286.42 g/mol, XLogP of 4.11, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methyl-2-pyrrolidin-1-ylphenyl)cyclohexanecarboxamide is sourced from PubChem (CID 168512570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).