3-N,4-N-dibutylpyrrolidine-3,4-dicarboxamide;hydrochloride

C14H28ClN3O2 — CID 154586687

IUPAC3-N,4-N-dibutylpyrrolidine-3,4-dicarboxamide;hydrochloride
SMILESCCCCNC(=O)C1CNCC1C(=O)NCCCC.Cl
InChIInChI=1S/C14H27N3O2.ClH/c1-3-5-7-16-13(18)11-9-15-10-12(11)14(19)17-8-6-4-2;/h11-12,15H,3-10H2,1-2H3,(H,16,18)(H,17,19);1H
InChIKeyKBSKAWYVKVHDJN-UHFFFAOYSA-N
MW305.85 g/mol
LogP1.08
Rot. Bonds8

About 3-N,4-N-dibutylpyrrolidine-3,4-dicarboxamide;hydrochloride

3-N,4-N-dibutylpyrrolidine-3,4-dicarboxamide;hydrochloride (PubChem CID 154586687) has the molecular formula C14H28ClN3O2 and a molecular weight of 305.85 g/mol. Its IUPAC name is 3-N,4-N-dibutylpyrrolidine-3,4-dicarboxamide;hydrochloride.

Molecular Properties

Compound Name3-N,4-N-dibutylpyrrolidine-3,4-dicarboxamide;hydrochloride
PubChem CID154586687
Molecular FormulaC14H28ClN3O2
Molecular Weight305.85 g/mol
Exact Mass305.19
IUPAC Name3-N,4-N-dibutylpyrrolidine-3,4-dicarboxamide;hydrochloride
SMILESCCCCNC(=O)C1CNCC1C(=O)NCCCC.Cl
InChIInChI=1S/C14H27N3O2.ClH/c1-3-5-7-16-13(18)11-9-15-10-12(11)14(19)17-8-6-4-2;/h11-12,15H,3-10H2,1-2H3,(H,16,18)(H,17,19);1H
InChIKeyKBSKAWYVKVHDJN-UHFFFAOYSA-N
XLogP1.08
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.85
LogP ≤ 51.08
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

(3R,4S)-4-(dimethylamino)-N-tetradecylpyrrolidine-3-carboxamide
CID 167356531
(3R,4S)-4-heptoxy-N-hexylpyrrolidine-3-carboxamide
CID 167356464
N-(3-hydroxypropyl)-4-methylpyrrolidine-3-carboxamide
CID 63715754
N-tetradecylpyrrolidine-3-carboxamide;hydrochloride
CID 154586688
N-(4-amino-4-oxobutyl)-4-methylpyrrolidine-3-carboxamide
CID 63714298
N-butyl-2,6-dimethylpiperazine-1-carboxamide
CID 63911594
N-butyl-4-hydroxy-2-oxopyrrolidine-3-carboxamide
CID 142438428
(2S)-N-butylpyrrolidine-2-carboxamide
CID 22691332
(1S,6R)-3,4-dimethyl-6-(pentylcarbamoyl)cyclohex-3-ene-1-carboxylic acid
CID 7001791
2-N-butyl-1-N-(4-fluorophenyl)cyclopropane-1,2-dicarboxamide
CID 109131322
2-(decylcarbamoyl)cyclohexane-1-carboxylic acid
CID 5139462
6-(pentylcarbamoyl)cyclohex-3-ene-1-carboxylic acid
CID 4055137

Frequently Asked Questions

What is the IUPAC name of 3-N,4-N-dibutylpyrrolidine-3,4-dicarboxamide;hydrochloride?
The IUPAC name of 3-N,4-N-dibutylpyrrolidine-3,4-dicarboxamide;hydrochloride (CID 154586687) is 3-N,4-N-dibutylpyrrolidine-3,4-dicarboxamide;hydrochloride.
What is the SMILES notation for 3-N,4-N-dibutylpyrrolidine-3,4-dicarboxamide;hydrochloride?
The canonical SMILES for 3-N,4-N-dibutylpyrrolidine-3,4-dicarboxamide;hydrochloride is CCCCNC(=O)C1CNCC1C(=O)NCCCC.Cl.
What is the InChIKey of 3-N,4-N-dibutylpyrrolidine-3,4-dicarboxamide;hydrochloride?
The InChIKey is KBSKAWYVKVHDJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27N3O2.ClH/c1-3-5-7-16-13(18)11-9-15-10-12(11)14(19)17-8-6-4-2;/h11-12,15H,3-10H2,1-2H3,(H,16,18)(H,17,19);1H.
What are the key properties of 3-N,4-N-dibutylpyrrolidine-3,4-dicarboxamide;hydrochloride?
3-N,4-N-dibutylpyrrolidine-3,4-dicarboxamide;hydrochloride has a molecular weight of 305.85 g/mol, XLogP of 1.08, 8 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N,4-N-dibutylpyrrolidine-3,4-dicarboxamide;hydrochloride is sourced from PubChem (CID 154586687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).