3-ethyl-N-(4-hydroxypentyl)pyrrolidine-3-carboxamide

C12H24N2O2 — CID 106134765

IUPAC3-ethyl-N-(4-hydroxypentyl)pyrrolidine-3-carboxamide
SMILESCCC1(C(=O)NCCCC(C)O)CCNC1
InChIInChI=1S/C12H24N2O2/c1-3-12(6-8-13-9-12)11(16)14-7-4-5-10(2)15/h10,13,15H,3-9H2,1-2H3,(H,14,16)
InChIKeyXYMKCSIUBAQMNF-UHFFFAOYSA-N
MW228.34 g/mol
LogP0.65
Rot. Bonds6

About 3-ethyl-N-(4-hydroxypentyl)pyrrolidine-3-carboxamide

3-ethyl-N-(4-hydroxypentyl)pyrrolidine-3-carboxamide (PubChem CID 106134765) has the molecular formula C12H24N2O2 and a molecular weight of 228.34 g/mol. Its IUPAC name is 3-ethyl-N-(4-hydroxypentyl)pyrrolidine-3-carboxamide.

Molecular Properties

Compound Name3-ethyl-N-(4-hydroxypentyl)pyrrolidine-3-carboxamide
PubChem CID106134765
Molecular FormulaC12H24N2O2
Molecular Weight228.34 g/mol
Exact Mass228.18
IUPAC Name3-ethyl-N-(4-hydroxypentyl)pyrrolidine-3-carboxamide
SMILESCCC1(C(=O)NCCCC(C)O)CCNC1
InChIInChI=1S/C12H24N2O2/c1-3-12(6-8-13-9-12)11(16)14-7-4-5-10(2)15/h10,13,15H,3-9H2,1-2H3,(H,14,16)
InChIKeyXYMKCSIUBAQMNF-UHFFFAOYSA-N
XLogP0.65
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 ≤ 50.65
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-(4-amino-4-oxobutyl)-3-ethylpyrrolidine-3-carboxamide
CID 63139989
3-ethyl-N-octylpyrrolidine-3-carboxamide
CID 115567862
3-ethyl-N-(3-pyrrolidin-1-ylpropyl)pyrrolidine-3-carboxamide
CID 55165904
ethyl 4-[(3-ethylpyrrolidine-3-carbonyl)amino]butanoate
CID 64575036
3-ethyl-N-(3-methyl-2-propan-2-ylbutyl)pyrrolidine-3-carboxamide
CID 102905966
methyl 3-[(3-ethylpyrrolidine-3-carbonyl)amino]propanoate
CID 63141454
3-ethyl-N-(2-ethylsulfinylethyl)pyrrolidine-3-carboxamide
CID 115750111
N-(3-hydroxybutyl)-3-propylpiperidine-3-carboxamide
CID 64913722
3-ethyl-N-[(1-methylcyclobutyl)methyl]pyrrolidine-3-carboxamide
CID 103826138
4-ethyl-N-octylpiperidine-4-carboxamide
CID 115567946
3-ethyl-N-[3-(1H-1,2,4-triazol-5-yl)propyl]pyrrolidine-3-carboxamide
CID 64531930
(2S)-2-[(3-ethylpyrrolidine-3-carbonyl)amino]propanoic acid
CID 63141520

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-N-(4-hydroxypentyl)pyrrolidine-3-carboxamide?
The IUPAC name of 3-ethyl-N-(4-hydroxypentyl)pyrrolidine-3-carboxamide (CID 106134765) is 3-ethyl-N-(4-hydroxypentyl)pyrrolidine-3-carboxamide.
What is the SMILES notation for 3-ethyl-N-(4-hydroxypentyl)pyrrolidine-3-carboxamide?
The canonical SMILES for 3-ethyl-N-(4-hydroxypentyl)pyrrolidine-3-carboxamide is CCC1(C(=O)NCCCC(C)O)CCNC1.
What is the InChIKey of 3-ethyl-N-(4-hydroxypentyl)pyrrolidine-3-carboxamide?
The InChIKey is XYMKCSIUBAQMNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O2/c1-3-12(6-8-13-9-12)11(16)14-7-4-5-10(2)15/h10,13,15H,3-9H2,1-2H3,(H,14,16).
What are the key properties of 3-ethyl-N-(4-hydroxypentyl)pyrrolidine-3-carboxamide?
3-ethyl-N-(4-hydroxypentyl)pyrrolidine-3-carboxamide has a molecular weight of 228.34 g/mol, XLogP of 0.65, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-N-(4-hydroxypentyl)pyrrolidine-3-carboxamide is sourced from PubChem (CID 106134765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).