N-(3-ethyl-2-hydroxypentyl)pyrrolidine-3-carboxamide

C12H24N2O2 — CID 103811158

IUPACN-(3-ethyl-2-hydroxypentyl)pyrrolidine-3-carboxamide
SMILESCCC(CC)C(O)CNC(=O)C1CCNC1
InChIInChI=1S/C12H24N2O2/c1-3-9(4-2)11(15)8-14-12(16)10-5-6-13-7-10/h9-11,13,15H,3-8H2,1-2H3,(H,14,16)
InChIKeyYQFHLBZBZUEONI-UHFFFAOYSA-N
MW228.34 g/mol
LogP0.51
Rot. Bonds6

About N-(3-ethyl-2-hydroxypentyl)pyrrolidine-3-carboxamide

N-(3-ethyl-2-hydroxypentyl)pyrrolidine-3-carboxamide (PubChem CID 103811158) has the molecular formula C12H24N2O2 and a molecular weight of 228.34 g/mol. Its IUPAC name is N-(3-ethyl-2-hydroxypentyl)pyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-(3-ethyl-2-hydroxypentyl)pyrrolidine-3-carboxamide
PubChem CID103811158
Molecular FormulaC12H24N2O2
Molecular Weight228.34 g/mol
Exact Mass228.18
IUPAC NameN-(3-ethyl-2-hydroxypentyl)pyrrolidine-3-carboxamide
SMILESCCC(CC)C(O)CNC(=O)C1CCNC1
InChIInChI=1S/C12H24N2O2/c1-3-9(4-2)11(15)8-14-12(16)10-5-6-13-7-10/h9-11,13,15H,3-8H2,1-2H3,(H,14,16)
InChIKeyYQFHLBZBZUEONI-UHFFFAOYSA-N
XLogP0.51
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.34
LogP ≤ 50.51
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

(3S)-N-(2-methylpropyl)pyrrolidine-3-carboxamide;hydrochloride
CID 130617113
N-(2-hydroxypentyl)pyrrolidine-3-carboxamide;hydrochloride
CID 119783584
(2S)-2-hydroxy-3-(pyrrolidine-3-carbonylamino)propanoic acid
CID 107835954
N-(3-ethyl-2-pyrrolidin-1-ylpentyl)piperidine-3-carboxamide;dihydrochloride
CID 119842158
N-(3-hydroxy-2-methylpropyl)pyrrolidine-3-carboxamide
CID 65036211
(3S)-N-butan-2-ylpyrrolidine-3-carboxamide;hydrochloride
CID 130617096
N-(2-methoxypropyl)pyrrolidine-3-carboxamide
CID 102694813
N-(2-ethylbutyl)piperidine-4-carboxamide
CID 115733723
N-(2-methyl-3-methylsulfanylpropyl)pyrrolidine-3-carboxamide
CID 63959969
N-(2-cyclohexyl-2-hydroxyethyl)pyrrolidine-3-carboxamide
CID 119731741
N-[2-(dimethylamino)-3-ethylpentyl]piperidine-4-carboxamide
CID 61275439
N-[3-(4-ethylpiperazin-1-yl)-2-methylpropyl]pyrrolidine-3-carboxamide;trihydrochloride
CID 119902553

Frequently Asked Questions

What is the IUPAC name of N-(3-ethyl-2-hydroxypentyl)pyrrolidine-3-carboxamide?
The IUPAC name of N-(3-ethyl-2-hydroxypentyl)pyrrolidine-3-carboxamide (CID 103811158) is N-(3-ethyl-2-hydroxypentyl)pyrrolidine-3-carboxamide.
What is the SMILES notation for N-(3-ethyl-2-hydroxypentyl)pyrrolidine-3-carboxamide?
The canonical SMILES for N-(3-ethyl-2-hydroxypentyl)pyrrolidine-3-carboxamide is CCC(CC)C(O)CNC(=O)C1CCNC1.
What is the InChIKey of N-(3-ethyl-2-hydroxypentyl)pyrrolidine-3-carboxamide?
The InChIKey is YQFHLBZBZUEONI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O2/c1-3-9(4-2)11(15)8-14-12(16)10-5-6-13-7-10/h9-11,13,15H,3-8H2,1-2H3,(H,14,16).
What are the key properties of N-(3-ethyl-2-hydroxypentyl)pyrrolidine-3-carboxamide?
N-(3-ethyl-2-hydroxypentyl)pyrrolidine-3-carboxamide has a molecular weight of 228.34 g/mol, XLogP of 0.51, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-ethyl-2-hydroxypentyl)pyrrolidine-3-carboxamide is sourced from PubChem (CID 103811158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).