N-(4-ethylcyclohexyl)-N,2-dimethylpyrrolidine-3-carboxamide

C15H28N2O — CID 79388536

IUPACN-(4-ethylcyclohexyl)-N,2-dimethylpyrrolidine-3-carboxamide
SMILESCCC1CCC(N(C)C(=O)C2CCNC2C)CC1
InChIInChI=1S/C15H28N2O/c1-4-12-5-7-13(8-6-12)17(3)15(18)14-9-10-16-11(14)2/h11-14,16H,4-10H2,1-3H3
InChIKeyCTHZZVMBERPDBX-UHFFFAOYSA-N
MW252.40 g/mol
LogP2.41
Rot. Bonds3

About N-(4-ethylcyclohexyl)-N,2-dimethylpyrrolidine-3-carboxamide

N-(4-ethylcyclohexyl)-N,2-dimethylpyrrolidine-3-carboxamide (PubChem CID 79388536) has the molecular formula C15H28N2O and a molecular weight of 252.40 g/mol. Its IUPAC name is N-(4-ethylcyclohexyl)-N,2-dimethylpyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-(4-ethylcyclohexyl)-N,2-dimethylpyrrolidine-3-carboxamide
PubChem CID79388536
Molecular FormulaC15H28N2O
Molecular Weight252.40 g/mol
Exact Mass252.22
IUPAC NameN-(4-ethylcyclohexyl)-N,2-dimethylpyrrolidine-3-carboxamide
SMILESCCC1CCC(N(C)C(=O)C2CCNC2C)CC1
InChIInChI=1S/C15H28N2O/c1-4-12-5-7-13(8-6-12)17(3)15(18)14-9-10-16-11(14)2/h11-14,16H,4-10H2,1-3H3
InChIKeyCTHZZVMBERPDBX-UHFFFAOYSA-N
XLogP2.41
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.40
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(3S,4S)-N-(4-ethylcyclohexyl)-N,4-dimethylpyrrolidine-3-carboxamide
CID 98540092
(2S)-N-(4-ethylcyclohexyl)-N-methylpiperidine-2-carboxamide
CID 93456348
2-[methyl-(2-methylpyrrolidine-3-carbonyl)amino]acetic acid
CID 79389026
1-(4-ethylcyclohexyl)-1-methylurea
CID 61449062
N-(2-hydroxyethyl)-2-methyl-N-pentan-3-ylpyrrolidine-3-carboxamide
CID 79388801
N-cyclopropyl-N-(2-methoxyethyl)-2-methylpyrrolidine-3-carboxamide
CID 79389096
N-[(3-hydroxycyclobutyl)methyl]-N,2-dimethylpyrrolidine-3-carboxamide
CID 79384629
N-(4-ethylcyclohexyl)-N-methyl-5-oxopiperazine-2-carboxamide
CID 107435465
(2R,3R)-2-methylpyrrolidine-3-carboxylic acid
CID 10887930
4-ethyl-N-methyl-N-(1-methylpiperidin-4-yl)piperidine-2-carboxamide
CID 114427893
N-cyclohexyl-N-(2-hydroxyethyl)-2-methylpyrrolidine-3-carboxamide
CID 79388366
(2R,3R)-N-ethyl-N,2-dimethylpiperidine-3-carboxamide;hydrochloride
CID 130610203

Frequently Asked Questions

What is the IUPAC name of N-(4-ethylcyclohexyl)-N,2-dimethylpyrrolidine-3-carboxamide?
The IUPAC name of N-(4-ethylcyclohexyl)-N,2-dimethylpyrrolidine-3-carboxamide (CID 79388536) is N-(4-ethylcyclohexyl)-N,2-dimethylpyrrolidine-3-carboxamide.
What is the SMILES notation for N-(4-ethylcyclohexyl)-N,2-dimethylpyrrolidine-3-carboxamide?
The canonical SMILES for N-(4-ethylcyclohexyl)-N,2-dimethylpyrrolidine-3-carboxamide is CCC1CCC(N(C)C(=O)C2CCNC2C)CC1.
What is the InChIKey of N-(4-ethylcyclohexyl)-N,2-dimethylpyrrolidine-3-carboxamide?
The InChIKey is CTHZZVMBERPDBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N2O/c1-4-12-5-7-13(8-6-12)17(3)15(18)14-9-10-16-11(14)2/h11-14,16H,4-10H2,1-3H3.
What are the key properties of N-(4-ethylcyclohexyl)-N,2-dimethylpyrrolidine-3-carboxamide?
N-(4-ethylcyclohexyl)-N,2-dimethylpyrrolidine-3-carboxamide has a molecular weight of 252.40 g/mol, XLogP of 2.41, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-ethylcyclohexyl)-N,2-dimethylpyrrolidine-3-carboxamide is sourced from PubChem (CID 79388536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).