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

C14H26N2O2 — CID 61213322

IUPACN-(2-ethylcyclohexyl)-4-methoxypyrrolidine-2-carboxamide
SMILESCCC1CCCCC1NC(=O)C1CC(OC)CN1
InChIInChI=1S/C14H26N2O2/c1-3-10-6-4-5-7-12(10)16-14(17)13-8-11(18-2)9-15-13/h10-13,15H,3-9H2,1-2H3,(H,16,17)
InChIKeyVPKGBWWLVSDLAB-UHFFFAOYSA-N
MW254.37 g/mol
LogP1.45
Rot. Bonds4

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

N-(2-ethylcyclohexyl)-4-methoxypyrrolidine-2-carboxamide (PubChem CID 61213322) has the molecular formula C14H26N2O2 and a molecular weight of 254.37 g/mol. Its IUPAC name is N-(2-ethylcyclohexyl)-4-methoxypyrrolidine-2-carboxamide.

Molecular Properties

Compound NameN-(2-ethylcyclohexyl)-4-methoxypyrrolidine-2-carboxamide
PubChem CID61213322
Molecular FormulaC14H26N2O2
Molecular Weight254.37 g/mol
Exact Mass254.20
IUPAC NameN-(2-ethylcyclohexyl)-4-methoxypyrrolidine-2-carboxamide
SMILESCCC1CCCCC1NC(=O)C1CC(OC)CN1
InChIInChI=1S/C14H26N2O2/c1-3-10-6-4-5-7-12(10)16-14(17)13-8-11(18-2)9-15-13/h10-13,15H,3-9H2,1-2H3,(H,16,17)
InChIKeyVPKGBWWLVSDLAB-UHFFFAOYSA-N
XLogP1.45
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
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

N-(2-ethylcyclopropyl)-4-methoxypyrrolidine-2-carboxamide
CID 103833117
N-(2-ethylsulfanylcyclopentyl)-4-methoxypyrrolidine-2-carboxamide
CID 103833311
(2R,4S)-4-methoxy-N-(2-methylcyclopropyl)pyrrolidine-2-carboxamide;hydrochloride
CID 130978968
N-(2-ethylcyclohexyl)-4-methylpiperidine-2-carboxamide
CID 114423051
(2-ethylcyclohexyl) 4-methoxypyrrolidine-2-carboxylate
CID 61276842
N-(2-ethylcyclohexyl)-5-(trifluoromethyl)piperidine-2-carboxamide
CID 114908719
N-cyclopentyloxy-4-methoxypyrrolidine-2-carboxamide
CID 83235213
4-methoxy-N-propan-2-ylpyrrolidine-2-carboxamide
CID 61213428
N-(2-cyclohexylethyl)-4-methoxypyrrolidine-2-carboxamide
CID 61215073
N-[(1S)-1-cyclopentylethyl]-4-methoxypyrrolidine-2-carboxamide
CID 81389076
N-(2-imidazol-1-ylcyclopentyl)-4-methoxypyrrolidine-2-carboxamide
CID 61215361
4-[(4-methoxypyrrolidine-2-carbonyl)amino]oxolane-3-carboxylic acid
CID 66239535

Frequently Asked Questions

What is the IUPAC name of N-(2-ethylcyclohexyl)-4-methoxypyrrolidine-2-carboxamide?
The IUPAC name of N-(2-ethylcyclohexyl)-4-methoxypyrrolidine-2-carboxamide (CID 61213322) is N-(2-ethylcyclohexyl)-4-methoxypyrrolidine-2-carboxamide.
What is the SMILES notation for N-(2-ethylcyclohexyl)-4-methoxypyrrolidine-2-carboxamide?
The canonical SMILES for N-(2-ethylcyclohexyl)-4-methoxypyrrolidine-2-carboxamide is CCC1CCCCC1NC(=O)C1CC(OC)CN1.
What is the InChIKey of N-(2-ethylcyclohexyl)-4-methoxypyrrolidine-2-carboxamide?
The InChIKey is VPKGBWWLVSDLAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2O2/c1-3-10-6-4-5-7-12(10)16-14(17)13-8-11(18-2)9-15-13/h10-13,15H,3-9H2,1-2H3,(H,16,17).
What are the key properties of N-(2-ethylcyclohexyl)-4-methoxypyrrolidine-2-carboxamide?
N-(2-ethylcyclohexyl)-4-methoxypyrrolidine-2-carboxamide has a molecular weight of 254.37 g/mol, XLogP of 1.45, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethylcyclohexyl)-4-methoxypyrrolidine-2-carboxamide is sourced from PubChem (CID 61213322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).