N-(2-cyclohexylethyl)-4-methoxypyrrolidine-2-carboxamide

C14H26N2O2 — CID 61215073

IUPACN-(2-cyclohexylethyl)-4-methoxypyrrolidine-2-carboxamide
SMILESCOC1CNC(C(=O)NCCC2CCCCC2)C1
InChIInChI=1S/C14H26N2O2/c1-18-12-9-13(16-10-12)14(17)15-8-7-11-5-3-2-4-6-11/h11-13,16H,2-10H2,1H3,(H,15,17)
InChIKeyXXEMCHKOTLKEJZ-UHFFFAOYSA-N
MW254.37 g/mol
LogP1.45
Rot. Bonds5

About N-(2-cyclohexylethyl)-4-methoxypyrrolidine-2-carboxamide

N-(2-cyclohexylethyl)-4-methoxypyrrolidine-2-carboxamide (PubChem CID 61215073) has the molecular formula C14H26N2O2 and a molecular weight of 254.37 g/mol. Its IUPAC name is N-(2-cyclohexylethyl)-4-methoxypyrrolidine-2-carboxamide.

Molecular Properties

Compound NameN-(2-cyclohexylethyl)-4-methoxypyrrolidine-2-carboxamide
PubChem CID61215073
Molecular FormulaC14H26N2O2
Molecular Weight254.37 g/mol
Exact Mass254.20
IUPAC NameN-(2-cyclohexylethyl)-4-methoxypyrrolidine-2-carboxamide
SMILESCOC1CNC(C(=O)NCCC2CCCCC2)C1
InChIInChI=1S/C14H26N2O2/c1-18-12-9-13(16-10-12)14(17)15-8-7-11-5-3-2-4-6-11/h11-13,16H,2-10H2,1H3,(H,15,17)
InChIKeyXXEMCHKOTLKEJZ-UHFFFAOYSA-N
XLogP1.45
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.37
LogP ≤ 51.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-methoxy-N-[(3-methylcyclohexyl)methyl]pyrrolidine-2-carboxamide
CID 103832995
N-cyclopentyloxy-4-methoxypyrrolidine-2-carboxamide
CID 83235213
2-[(4-methoxypyrrolidine-2-carbonyl)amino]ethyl carbamate
CID 83209217
N-[2-(2-hydroxyethoxy)ethyl]-4-methoxypyrrolidine-2-carboxamide
CID 61276211
4-methoxy-N-(4-methylpentyl)pyrrolidine-2-carboxamide
CID 61215245
4-methoxy-N-[3-(2-methylpiperidin-1-yl)propyl]pyrrolidine-2-carboxamide
CID 61214890
N-[(3-hydroxycyclopentyl)methyl]-4-methoxypyrrolidine-2-carboxamide
CID 106134352
4-methoxy-N-(2-methylprop-2-enyl)pyrrolidine-2-carboxamide
CID 114617212
N-[2-(ethylsulfamoyl)ethyl]-4-methoxypyrrolidine-2-carboxamide
CID 103833077
4-methoxy-N-propan-2-ylpyrrolidine-2-carboxamide
CID 61213428
N-[2-(cyclohexen-1-yl)ethyl]-4-methoxypyrrolidine-2-carboxamide
CID 61215048
N-[(1S)-1-cyclopentylethyl]-4-methoxypyrrolidine-2-carboxamide
CID 81389076

Frequently Asked Questions

What is the IUPAC name of N-(2-cyclohexylethyl)-4-methoxypyrrolidine-2-carboxamide?
The IUPAC name of N-(2-cyclohexylethyl)-4-methoxypyrrolidine-2-carboxamide (CID 61215073) is N-(2-cyclohexylethyl)-4-methoxypyrrolidine-2-carboxamide.
What is the SMILES notation for N-(2-cyclohexylethyl)-4-methoxypyrrolidine-2-carboxamide?
The canonical SMILES for N-(2-cyclohexylethyl)-4-methoxypyrrolidine-2-carboxamide is COC1CNC(C(=O)NCCC2CCCCC2)C1.
What is the InChIKey of N-(2-cyclohexylethyl)-4-methoxypyrrolidine-2-carboxamide?
The InChIKey is XXEMCHKOTLKEJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2O2/c1-18-12-9-13(16-10-12)14(17)15-8-7-11-5-3-2-4-6-11/h11-13,16H,2-10H2,1H3,(H,15,17).
What are the key properties of N-(2-cyclohexylethyl)-4-methoxypyrrolidine-2-carboxamide?
N-(2-cyclohexylethyl)-4-methoxypyrrolidine-2-carboxamide has a molecular weight of 254.37 g/mol, XLogP of 1.45, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyclohexylethyl)-4-methoxypyrrolidine-2-carboxamide is sourced from PubChem (CID 61215073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).