N-butyl-1-[3-(dimethylamino)propyl]-5-oxopyrrolidine-3-carboxamide

C14H27N3O2 — CID 108787285

IUPACN-butyl-1-[3-(dimethylamino)propyl]-5-oxopyrrolidine-3-carboxamide
SMILESCCCCNC(=O)C1CC(=O)N(CCCN(C)C)C1
InChIInChI=1S/C14H27N3O2/c1-4-5-7-15-14(19)12-10-13(18)17(11-12)9-6-8-16(2)3/h12H,4-11H2,1-3H3,(H,15,19)
InChIKeyHPZSZNRDUQRMPA-UHFFFAOYSA-N
MW269.39 g/mol
LogP0.70
Rot. Bonds8

About N-butyl-1-[3-(dimethylamino)propyl]-5-oxopyrrolidine-3-carboxamide

N-butyl-1-[3-(dimethylamino)propyl]-5-oxopyrrolidine-3-carboxamide (PubChem CID 108787285) has the molecular formula C14H27N3O2 and a molecular weight of 269.39 g/mol. Its IUPAC name is N-butyl-1-[3-(dimethylamino)propyl]-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-butyl-1-[3-(dimethylamino)propyl]-5-oxopyrrolidine-3-carboxamide
PubChem CID108787285
Molecular FormulaC14H27N3O2
Molecular Weight269.39 g/mol
Exact Mass269.21
IUPAC NameN-butyl-1-[3-(dimethylamino)propyl]-5-oxopyrrolidine-3-carboxamide
SMILESCCCCNC(=O)C1CC(=O)N(CCCN(C)C)C1
InChIInChI=1S/C14H27N3O2/c1-4-5-7-15-14(19)12-10-13(18)17(11-12)9-6-8-16(2)3/h12H,4-11H2,1-3H3,(H,15,19)
InChIKeyHPZSZNRDUQRMPA-UHFFFAOYSA-N
XLogP0.70
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.39
LogP ≤ 50.70
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

(3R)-1-butyl-N-[3-(dimethylamino)propyl]-5-oxopyrrolidine-3-carboxamide
CID 9397964
N,1-dibutyl-5-oxopyrrolidine-3-carboxamide
CID 17082476
N,1-didodecyl-5-oxopyrrolidine-3-carboxamide
CID 66680655
N-[3-(dimethylamino)propyl]-5-oxo-1-(3-phenylpropyl)pyrrolidine-3-carboxamide
CID 113185267
(3R)-1-[3-(dimethylamino)propyl]-5-oxopyrrolidine-3-carboxylic acid
CID 735293
(3S)-1-butyl-N-(3-ethoxypropyl)-5-oxopyrrolidine-3-carboxamide
CID 9399516
1-[2-(dimethylamino)ethyl]-N-(2-methoxyethyl)-5-oxopyrrolidine-3-carboxamide
CID 113182823
2-[[1-[3-(dimethylamino)propyl]-5-oxopyrrolidine-3-carbonyl]amino]butanoic acid
CID 108800194
1-[3-(dimethylamino)propyl]-N-(1-hydroxy-2-methylpropan-2-yl)-5-oxopyrrolidine-3-carboxamide
CID 108800222
N-(3-aminobutyl)-1-[2-(dimethylamino)ethyl]-5-oxopyrrolidine-3-carboxamide
CID 119497303
1-benzyl-N-[3-(dimethylamino)propyl]-5-oxopyrrolidine-3-carboxamide
CID 4827205
1-[3-(dimethylamino)propyl]-N-[(2-fluorophenyl)methyl]-5-oxopyrrolidine-3-carboxamide
CID 108787450

Frequently Asked Questions

What is the IUPAC name of N-butyl-1-[3-(dimethylamino)propyl]-5-oxopyrrolidine-3-carboxamide?
The IUPAC name of N-butyl-1-[3-(dimethylamino)propyl]-5-oxopyrrolidine-3-carboxamide (CID 108787285) is N-butyl-1-[3-(dimethylamino)propyl]-5-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for N-butyl-1-[3-(dimethylamino)propyl]-5-oxopyrrolidine-3-carboxamide?
The canonical SMILES for N-butyl-1-[3-(dimethylamino)propyl]-5-oxopyrrolidine-3-carboxamide is CCCCNC(=O)C1CC(=O)N(CCCN(C)C)C1.
What is the InChIKey of N-butyl-1-[3-(dimethylamino)propyl]-5-oxopyrrolidine-3-carboxamide?
The InChIKey is HPZSZNRDUQRMPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27N3O2/c1-4-5-7-15-14(19)12-10-13(18)17(11-12)9-6-8-16(2)3/h12H,4-11H2,1-3H3,(H,15,19).
What are the key properties of N-butyl-1-[3-(dimethylamino)propyl]-5-oxopyrrolidine-3-carboxamide?
N-butyl-1-[3-(dimethylamino)propyl]-5-oxopyrrolidine-3-carboxamide has a molecular weight of 269.39 g/mol, XLogP of 0.70, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-1-[3-(dimethylamino)propyl]-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 108787285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).