N-(2-ethylcyclohexyl)-3-methylpyrrolidine-3-carboxamide

C14H26N2O — CID 63139427

IUPACN-(2-ethylcyclohexyl)-3-methylpyrrolidine-3-carboxamide
SMILESCCC1CCCCC1NC(=O)C1(C)CCNC1
InChIInChI=1S/C14H26N2O/c1-3-11-6-4-5-7-12(11)16-13(17)14(2)8-9-15-10-14/h11-12,15H,3-10H2,1-2H3,(H,16,17)
InChIKeyIFTQHIGYOFAMDB-UHFFFAOYSA-N
MW238.37 g/mol
LogP2.07
Rot. Bonds3

About N-(2-ethylcyclohexyl)-3-methylpyrrolidine-3-carboxamide

N-(2-ethylcyclohexyl)-3-methylpyrrolidine-3-carboxamide (PubChem CID 63139427) has the molecular formula C14H26N2O and a molecular weight of 238.37 g/mol. Its IUPAC name is N-(2-ethylcyclohexyl)-3-methylpyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-(2-ethylcyclohexyl)-3-methylpyrrolidine-3-carboxamide
PubChem CID63139427
Molecular FormulaC14H26N2O
Molecular Weight238.37 g/mol
Exact Mass238.20
IUPAC NameN-(2-ethylcyclohexyl)-3-methylpyrrolidine-3-carboxamide
SMILESCCC1CCCCC1NC(=O)C1(C)CCNC1
InChIInChI=1S/C14H26N2O/c1-3-11-6-4-5-7-12(11)16-13(17)14(2)8-9-15-10-14/h11-12,15H,3-10H2,1-2H3,(H,16,17)
InChIKeyIFTQHIGYOFAMDB-UHFFFAOYSA-N
XLogP2.07
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.37
LogP ≤ 52.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-ethyl-N-(2-ethylcyclohexyl)piperidine-4-carboxamide
CID 63128033
N-(2-hydroxycyclohexyl)-3-methylpiperidine-3-carboxamide;hydrochloride
CID 110931002
N-(3-ethyl-2-methylcyclopentyl)-4-methylpiperidine-4-carboxamide
CID 64922757
1-amino-N-(2-ethylcyclohexyl)cyclopropane-1-carboxamide
CID 65464011
N-(1-azabicyclo[2.2.2]octan-3-yl)-3-methylpyrrolidine-3-carboxamide
CID 63138598
N-[2-(hydroxymethyl)cyclohexyl]-3-propylpyrrolidine-3-carboxamide
CID 106361369
N-cyclohexyl-3-methylpiperidine-3-carboxamide
CID 63132420
N-[2-(chloromethyl)cyclopentyl]-1-methylcyclopentane-1-carboxamide
CID 106365855
N-(cyclohexylmethyl)-3-methylpyrrolidine-3-carboxamide;hydrochloride
CID 119672528
N-(2-ethylsulfanylcyclopentyl)-4-methylpiperidine-4-carboxamide
CID 103840385
N-[(1S,2R)-2-ethylcyclohexyl]acetamide
CID 162400753
3-methyl-N-(4-methylcyclohexyl)pyrrolidine-3-carboxamide;hydrochloride
CID 119779385

Frequently Asked Questions

What is the IUPAC name of N-(2-ethylcyclohexyl)-3-methylpyrrolidine-3-carboxamide?
The IUPAC name of N-(2-ethylcyclohexyl)-3-methylpyrrolidine-3-carboxamide (CID 63139427) is N-(2-ethylcyclohexyl)-3-methylpyrrolidine-3-carboxamide.
What is the SMILES notation for N-(2-ethylcyclohexyl)-3-methylpyrrolidine-3-carboxamide?
The canonical SMILES for N-(2-ethylcyclohexyl)-3-methylpyrrolidine-3-carboxamide is CCC1CCCCC1NC(=O)C1(C)CCNC1.
What is the InChIKey of N-(2-ethylcyclohexyl)-3-methylpyrrolidine-3-carboxamide?
The InChIKey is IFTQHIGYOFAMDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2O/c1-3-11-6-4-5-7-12(11)16-13(17)14(2)8-9-15-10-14/h11-12,15H,3-10H2,1-2H3,(H,16,17).
What are the key properties of N-(2-ethylcyclohexyl)-3-methylpyrrolidine-3-carboxamide?
N-(2-ethylcyclohexyl)-3-methylpyrrolidine-3-carboxamide has a molecular weight of 238.37 g/mol, XLogP of 2.07, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethylcyclohexyl)-3-methylpyrrolidine-3-carboxamide is sourced from PubChem (CID 63139427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).