5-oxo-1-propan-2-yl-N-(3-propan-2-yloxypropyl)pyrrolidine-2-carboxamide

C14H26N2O3 — CID 3243254

IUPAC5-oxo-1-propan-2-yl-N-(3-propan-2-yloxypropyl)pyrrolidine-2-carboxamide
SMILESCC(C)OCCCNC(=O)C1CCC(=O)N1C(C)C
InChIInChI=1S/C14H26N2O3/c1-10(2)16-12(6-7-13(16)17)14(18)15-8-5-9-19-11(3)4/h10-12H,5-9H2,1-4H3,(H,15,18)
InChIKeyLNEVJEAKYPEDIQ-UHFFFAOYSA-N
MW270.37 g/mol
LogP1.32
Rot. Bonds7

About 5-oxo-1-propan-2-yl-N-(3-propan-2-yloxypropyl)pyrrolidine-2-carboxamide

5-oxo-1-propan-2-yl-N-(3-propan-2-yloxypropyl)pyrrolidine-2-carboxamide (PubChem CID 3243254) has the molecular formula C14H26N2O3 and a molecular weight of 270.37 g/mol. Its IUPAC name is 5-oxo-1-propan-2-yl-N-(3-propan-2-yloxypropyl)pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name5-oxo-1-propan-2-yl-N-(3-propan-2-yloxypropyl)pyrrolidine-2-carboxamide
PubChem CID3243254
Molecular FormulaC14H26N2O3
Molecular Weight270.37 g/mol
Exact Mass270.19
IUPAC Name5-oxo-1-propan-2-yl-N-(3-propan-2-yloxypropyl)pyrrolidine-2-carboxamide
SMILESCC(C)OCCCNC(=O)C1CCC(=O)N1C(C)C
InChIInChI=1S/C14H26N2O3/c1-10(2)16-12(6-7-13(16)17)14(18)15-8-5-9-19-11(3)4/h10-12H,5-9H2,1-4H3,(H,15,18)
InChIKeyLNEVJEAKYPEDIQ-UHFFFAOYSA-N
XLogP1.32
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.37
LogP ≤ 51.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

5-oxo-N-(2-piperidin-1-ium-1-ylethyl)-1-propan-2-ylpyrrolidine-2-carboxamide
CID 3429047
5-oxo-1-propan-2-yl-N-prop-2-enylpyrrolidine-2-carboxamide
CID 15991840
(3S)-1-(cyclohexylmethyl)-6-oxo-N-(3-propan-2-yloxypropyl)piperidine-3-carboxamide
CID 25454472
methyl (2R)-5-oxo-1-propan-2-ylpyrrolidine-2-carboxylate
CID 124604356
(4R)-2-oxo-N-(3-propan-2-yloxypropyl)imidazolidine-4-carboxamide
CID 97085402
trans-(1S,2S)-2-(3-propan-2-yloxypropylcarbamoyl)cyclohexane-1-carboxylate
CID 7316354
trans-(1S,2S)-2-(3-propan-2-yloxypropylcarbamoyl)cyclohexane-1-carboxylic acid
CID 7316355
tert-butyl 4-(3-propan-2-yloxypropylcarbamoyl)piperidine-1-carboxylate
CID 3493104
1-cyclohexyl-N-(3-ethoxypropyl)-5-oxopyrrolidine-2-carboxamide
CID 5151180
1-phenyl-N-(3-propan-2-yloxypropyl)piperidine-4-carboxamide
CID 17152501
(3S)-1-[(3R)-1,1-dioxothiolan-3-yl]-5-oxo-N-(3-propan-2-yloxypropyl)pyrrolidine-3-carboxamide
CID 94177997
N-[(2-chloro-4-fluorophenyl)methyl]-5-oxo-1-propan-2-ylpyrrolidine-2-carboxamide
CID 20968164

Frequently Asked Questions

What is the IUPAC name of 5-oxo-1-propan-2-yl-N-(3-propan-2-yloxypropyl)pyrrolidine-2-carboxamide?
The IUPAC name of 5-oxo-1-propan-2-yl-N-(3-propan-2-yloxypropyl)pyrrolidine-2-carboxamide (CID 3243254) is 5-oxo-1-propan-2-yl-N-(3-propan-2-yloxypropyl)pyrrolidine-2-carboxamide.
What is the SMILES notation for 5-oxo-1-propan-2-yl-N-(3-propan-2-yloxypropyl)pyrrolidine-2-carboxamide?
The canonical SMILES for 5-oxo-1-propan-2-yl-N-(3-propan-2-yloxypropyl)pyrrolidine-2-carboxamide is CC(C)OCCCNC(=O)C1CCC(=O)N1C(C)C.
What is the InChIKey of 5-oxo-1-propan-2-yl-N-(3-propan-2-yloxypropyl)pyrrolidine-2-carboxamide?
The InChIKey is LNEVJEAKYPEDIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2O3/c1-10(2)16-12(6-7-13(16)17)14(18)15-8-5-9-19-11(3)4/h10-12H,5-9H2,1-4H3,(H,15,18).
What are the key properties of 5-oxo-1-propan-2-yl-N-(3-propan-2-yloxypropyl)pyrrolidine-2-carboxamide?
5-oxo-1-propan-2-yl-N-(3-propan-2-yloxypropyl)pyrrolidine-2-carboxamide has a molecular weight of 270.37 g/mol, XLogP of 1.32, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-oxo-1-propan-2-yl-N-(3-propan-2-yloxypropyl)pyrrolidine-2-carboxamide is sourced from PubChem (CID 3243254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).