N-(3-ethylcyclohexyl)-4-hydroxypyrrolidine-2-carboxamide

C13H24N2O2 — CID 64748039

IUPACN-(3-ethylcyclohexyl)-4-hydroxypyrrolidine-2-carboxamide
SMILESCCC1CCCC(NC(=O)C2CC(O)CN2)C1
InChIInChI=1S/C13H24N2O2/c1-2-9-4-3-5-10(6-9)15-13(17)12-7-11(16)8-14-12/h9-12,14,16H,2-8H2,1H3,(H,15,17)
InChIKeyUHEHJXQIVPSHOP-UHFFFAOYSA-N
MW240.35 g/mol
LogP0.79
Rot. Bonds3

About N-(3-ethylcyclohexyl)-4-hydroxypyrrolidine-2-carboxamide

N-(3-ethylcyclohexyl)-4-hydroxypyrrolidine-2-carboxamide (PubChem CID 64748039) has the molecular formula C13H24N2O2 and a molecular weight of 240.35 g/mol. Its IUPAC name is N-(3-ethylcyclohexyl)-4-hydroxypyrrolidine-2-carboxamide.

Molecular Properties

Compound NameN-(3-ethylcyclohexyl)-4-hydroxypyrrolidine-2-carboxamide
PubChem CID64748039
Molecular FormulaC13H24N2O2
Molecular Weight240.35 g/mol
Exact Mass240.18
IUPAC NameN-(3-ethylcyclohexyl)-4-hydroxypyrrolidine-2-carboxamide
SMILESCCC1CCCC(NC(=O)C2CC(O)CN2)C1
InChIInChI=1S/C13H24N2O2/c1-2-9-4-3-5-10(6-9)15-13(17)12-7-11(16)8-14-12/h9-12,14,16H,2-8H2,1H3,(H,15,17)
InChIKeyUHEHJXQIVPSHOP-UHFFFAOYSA-N
XLogP0.79
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.35
LogP ≤ 50.79
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

(2S,4R)-N-cyclobutyl-4-hydroxypyrrolidine-2-carboxamide
CID 66855041
4-hydroxy-N-(3-methylcyclohexyl)pyrrolidine-2-carboxamide
CID 43317965
4-hydroxy-N-(1-methylpiperidin-3-yl)pyrrolidine-2-carboxamide
CID 61212180
(2R,4S)-N-[(3S)-1-ethylpiperidin-3-yl]-4-hydroxypyrrolidine-2-carboxamide
CID 124832336
4-hydroxy-N-[4-(hydroxymethyl)cyclohexyl]pyrrolidine-2-carboxamide
CID 112753360
(3-ethylcyclohexyl) (2S,4S)-4-hydroxypyrrolidine-2-carboxylate
CID 64712694
4-hydroxy-N-(thian-3-yl)pyrrolidine-2-carboxamide
CID 115740732
N-(3-ethylcyclohexyl)-1,2,3,4-tetrahydroquinoxaline-2-carboxamide
CID 107356260
(2R,4S)-N-(2-ethylcyclopropyl)-4-hydroxypyrrolidine-2-carboxamide
CID 130774710
N-(1,1-dioxothian-3-yl)-4-hydroxypyrrolidine-2-carboxamide
CID 63922551
N-(3-ethylcyclohexyl)-3-methylpiperidine-4-carboxamide
CID 114278691
N-(2-ethylsulfanylcyclopentyl)-4-hydroxypyrrolidine-2-carboxamide
CID 103812895

Frequently Asked Questions

What is the IUPAC name of N-(3-ethylcyclohexyl)-4-hydroxypyrrolidine-2-carboxamide?
The IUPAC name of N-(3-ethylcyclohexyl)-4-hydroxypyrrolidine-2-carboxamide (CID 64748039) is N-(3-ethylcyclohexyl)-4-hydroxypyrrolidine-2-carboxamide.
What is the SMILES notation for N-(3-ethylcyclohexyl)-4-hydroxypyrrolidine-2-carboxamide?
The canonical SMILES for N-(3-ethylcyclohexyl)-4-hydroxypyrrolidine-2-carboxamide is CCC1CCCC(NC(=O)C2CC(O)CN2)C1.
What is the InChIKey of N-(3-ethylcyclohexyl)-4-hydroxypyrrolidine-2-carboxamide?
The InChIKey is UHEHJXQIVPSHOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O2/c1-2-9-4-3-5-10(6-9)15-13(17)12-7-11(16)8-14-12/h9-12,14,16H,2-8H2,1H3,(H,15,17).
What are the key properties of N-(3-ethylcyclohexyl)-4-hydroxypyrrolidine-2-carboxamide?
N-(3-ethylcyclohexyl)-4-hydroxypyrrolidine-2-carboxamide has a molecular weight of 240.35 g/mol, XLogP of 0.79, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-ethylcyclohexyl)-4-hydroxypyrrolidine-2-carboxamide is sourced from PubChem (CID 64748039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).