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

C29H56N2O2 — CID 66680655

IUPACN,1-didodecyl-5-oxopyrrolidine-3-carboxamide
SMILESCCCCCCCCCCCCNC(=O)C1CC(=O)N(CCCCCCCCCCCC)C1
InChIInChI=1S/C29H56N2O2/c1-3-5-7-9-11-13-15-17-19-21-23-30-29(33)27-25-28(32)31(26-27)24-22-20-18-16-14-12-10-8-6-4-2/h27H,3-26H2,1-2H3,(H,30,33)
InChIKeyZHWXTCLANJCILL-UHFFFAOYSA-N
MW464.78 g/mol
LogP7.79
Rot. Bonds23

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

N,1-didodecyl-5-oxopyrrolidine-3-carboxamide (PubChem CID 66680655) has the molecular formula C29H56N2O2 and a molecular weight of 464.78 g/mol. Its IUPAC name is N,1-didodecyl-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN,1-didodecyl-5-oxopyrrolidine-3-carboxamide
PubChem CID66680655
Molecular FormulaC29H56N2O2
Molecular Weight464.78 g/mol
Exact Mass464.43
IUPAC NameN,1-didodecyl-5-oxopyrrolidine-3-carboxamide
SMILESCCCCCCCCCCCCNC(=O)C1CC(=O)N(CCCCCCCCCCCC)C1
InChIInChI=1S/C29H56N2O2/c1-3-5-7-9-11-13-15-17-19-21-23-30-29(33)27-25-28(32)31(26-27)24-22-20-18-16-14-12-10-8-6-4-2/h27H,3-26H2,1-2H3,(H,30,33)
InChIKeyZHWXTCLANJCILL-UHFFFAOYSA-N
XLogP7.79
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds23
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500464.78
LogP ≤ 57.79
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-dibutyl-5-oxopyrrolidine-3-carboxamide
CID 17082476
5-oxo-N-pentyl-1-(3-phenylpropyl)pyrrolidine-3-carboxamide
CID 113185311
N-butyl-1-[3-(dimethylamino)propyl]-5-oxopyrrolidine-3-carboxamide
CID 108787285
(3R)-1-butyl-N-[3-(dimethylamino)propyl]-5-oxopyrrolidine-3-carboxamide
CID 9397964
(3S)-1-butyl-N-(3-ethoxypropyl)-5-oxopyrrolidine-3-carboxamide
CID 9399516
1-heptyl-5-oxopyrrolidine-3-carbohydrazide
CID 54792515
(3S)-1-[2-(4-fluorophenyl)ethyl]-N-hexyl-5-oxopyrrolidine-3-carboxamide
CID 9373889
(3R)-1-hexyl-5-oxopyrrolidine-3-carboxylic acid
CID 7144531
1-decyl-5-oxopyrrolidine-3-carboxylic acid
CID 3023563
1-[2-(cyclohexen-1-yl)ethyl]-5-oxo-N-pentylpyrrolidine-3-carboxamide
CID 113182353
1-[2-(4-methoxyphenoxy)ethyl]-5-oxo-N-pentylpyrrolidine-3-carboxamide
CID 113185431
1-[2-(3,4-dimethoxyphenyl)ethyl]-N-hexyl-5-oxopyrrolidine-3-carboxamide
CID 43008531

Frequently Asked Questions

What is the IUPAC name of N,1-didodecyl-5-oxopyrrolidine-3-carboxamide?
The IUPAC name of N,1-didodecyl-5-oxopyrrolidine-3-carboxamide (CID 66680655) is N,1-didodecyl-5-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for N,1-didodecyl-5-oxopyrrolidine-3-carboxamide?
The canonical SMILES for N,1-didodecyl-5-oxopyrrolidine-3-carboxamide is CCCCCCCCCCCCNC(=O)C1CC(=O)N(CCCCCCCCCCCC)C1.
What is the InChIKey of N,1-didodecyl-5-oxopyrrolidine-3-carboxamide?
The InChIKey is ZHWXTCLANJCILL-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H56N2O2/c1-3-5-7-9-11-13-15-17-19-21-23-30-29(33)27-25-28(32)31(26-27)24-22-20-18-16-14-12-10-8-6-4-2/h27H,3-26H2,1-2H3,(H,30,33).
What are the key properties of N,1-didodecyl-5-oxopyrrolidine-3-carboxamide?
N,1-didodecyl-5-oxopyrrolidine-3-carboxamide has a molecular weight of 464.78 g/mol, XLogP of 7.79, 23 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,1-didodecyl-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 66680655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).