N,1-dibutyl-5-oxopyrrolidine-3-carboxamide

C13H24N2O2 — CID 17082476

IUPACN,1-dibutyl-5-oxopyrrolidine-3-carboxamide
SMILESCCCCNC(=O)C1CC(=O)N(CCCC)C1
InChIInChI=1S/C13H24N2O2/c1-3-5-7-14-13(17)11-9-12(16)15(10-11)8-6-4-2/h11H,3-10H2,1-2H3,(H,14,17)
InChIKeyPVCLDGXDJFIZPN-UHFFFAOYSA-N
MW240.35 g/mol
LogP1.55
Rot. Bonds7

About N,1-dibutyl-5-oxopyrrolidine-3-carboxamide

N,1-dibutyl-5-oxopyrrolidine-3-carboxamide (PubChem CID 17082476) has the molecular formula C13H24N2O2 and a molecular weight of 240.35 g/mol. Its IUPAC name is N,1-dibutyl-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN,1-dibutyl-5-oxopyrrolidine-3-carboxamide
PubChem CID17082476
Molecular FormulaC13H24N2O2
Molecular Weight240.35 g/mol
Exact Mass240.18
IUPAC NameN,1-dibutyl-5-oxopyrrolidine-3-carboxamide
SMILESCCCCNC(=O)C1CC(=O)N(CCCC)C1
InChIInChI=1S/C13H24N2O2/c1-3-5-7-14-13(17)11-9-12(16)15(10-11)8-6-4-2/h11H,3-10H2,1-2H3,(H,14,17)
InChIKeyPVCLDGXDJFIZPN-UHFFFAOYSA-N
XLogP1.55
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.35
LogP ≤ 51.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N,1-didodecyl-5-oxopyrrolidine-3-carboxamide
CID 66680655
(3R)-1-butyl-N-[3-(dimethylamino)propyl]-5-oxopyrrolidine-3-carboxamide
CID 9397964
N-butyl-1-[3-(dimethylamino)propyl]-5-oxopyrrolidine-3-carboxamide
CID 108787285
(3S)-1-butyl-N-(3-ethoxypropyl)-5-oxopyrrolidine-3-carboxamide
CID 9399516
methyl 2-[[(3S)-1-butyl-5-oxopyrrolidine-3-carbonyl]amino]acetate
CID 9398138
1-butyl-N-[3-(4-methylpiperidin-1-ium-1-yl)propyl]-5-oxopyrrolidine-3-carboxamide
CID 4277124
5-oxo-N-pentyl-1-(3-phenylpropyl)pyrrolidine-3-carboxamide
CID 113185311
1-butyl-N-[2-(4-methoxyphenyl)ethyl]-5-oxopyrrolidine-3-carboxamide
CID 113182004
1-heptyl-5-oxopyrrolidine-3-carbohydrazide
CID 54792515
(3S)-N-[(2R)-butan-2-yl]-1-butyl-5-oxopyrrolidine-3-carboxamide
CID 9398572
N-(2-methoxyethyl)-1-(3-methoxypropyl)-5-oxopyrrolidine-3-carboxamide
CID 113182494
methyl (3R)-1-butyl-5-oxopyrrolidine-3-carboxylate
CID 94069422

Frequently Asked Questions

What is the IUPAC name of N,1-dibutyl-5-oxopyrrolidine-3-carboxamide?
The IUPAC name of N,1-dibutyl-5-oxopyrrolidine-3-carboxamide (CID 17082476) is N,1-dibutyl-5-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for N,1-dibutyl-5-oxopyrrolidine-3-carboxamide?
The canonical SMILES for N,1-dibutyl-5-oxopyrrolidine-3-carboxamide is CCCCNC(=O)C1CC(=O)N(CCCC)C1.
What is the InChIKey of N,1-dibutyl-5-oxopyrrolidine-3-carboxamide?
The InChIKey is PVCLDGXDJFIZPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O2/c1-3-5-7-14-13(17)11-9-12(16)15(10-11)8-6-4-2/h11H,3-10H2,1-2H3,(H,14,17).
What are the key properties of N,1-dibutyl-5-oxopyrrolidine-3-carboxamide?
N,1-dibutyl-5-oxopyrrolidine-3-carboxamide has a molecular weight of 240.35 g/mol, XLogP of 1.55, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,1-dibutyl-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 17082476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).