4-N,3-dibutylpyrrolidine-3,4-dicarboxamide

C14H27N3O2 — CID 159070623

IUPAC4-N,3-dibutylpyrrolidine-3,4-dicarboxamide
SMILESCCCCNC(=O)C1CNCC1(CCCC)C(N)=O
InChIInChI=1S/C14H27N3O2/c1-3-5-7-14(13(15)19)10-16-9-11(14)12(18)17-8-6-4-2/h11,16H,3-10H2,1-2H3,(H2,15,19)(H,17,18)
InChIKeyJZPIEHHLGQZCNF-UHFFFAOYSA-N
MW269.39 g/mol
LogP0.78
Rot. Bonds8

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

4-N,3-dibutylpyrrolidine-3,4-dicarboxamide (PubChem CID 159070623) has the molecular formula C14H27N3O2 and a molecular weight of 269.39 g/mol. Its IUPAC name is 4-N,3-dibutylpyrrolidine-3,4-dicarboxamide.

Molecular Properties

Compound Name4-N,3-dibutylpyrrolidine-3,4-dicarboxamide
PubChem CID159070623
Molecular FormulaC14H27N3O2
Molecular Weight269.39 g/mol
Exact Mass269.21
IUPAC Name4-N,3-dibutylpyrrolidine-3,4-dicarboxamide
SMILESCCCCNC(=O)C1CNCC1(CCCC)C(N)=O
InChIInChI=1S/C14H27N3O2/c1-3-5-7-14(13(15)19)10-16-9-11(14)12(18)17-8-6-4-2/h11,16H,3-10H2,1-2H3,(H2,15,19)(H,17,18)
InChIKeyJZPIEHHLGQZCNF-UHFFFAOYSA-N
XLogP0.78
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.39
LogP ≤ 50.78
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

3-N,4-N-dibutylpyrrolidine-3,4-dicarboxamide;hydrochloride
CID 154586687
(3S,4S)-4-amino-3-propylpyrrolidine-3-carboxylic acid
CID 130762276
3-amino-N-butylcyclohexane-1-carboxamide
CID 62778073
CID 10105754
CID 10105754
N-butyl-4-hydroxy-2-oxopyrrolidine-3-carboxamide
CID 142438428
(3R,4S)-4-(dimethylamino)-N-tetradecylpyrrolidine-3-carboxamide
CID 167356531
4-amino-2,2,3-trimethyl-N-pentylcyclohexane-1-carboxamide
CID 102628205
N-butyl-2,6-dimethylpiperazine-1-carboxamide
CID 63911594
4-amino-N-butyl-3-methylcyclohexane-1-carboxamide
CID 62782491
cis-1-O-ethyl 2-O-methyl (1R,2R)-1-butylcyclopropane-1,2-dicarboxylate
CID 10966254
N-tetradecylpyrrolidine-3-carboxamide;hydrochloride
CID 154586688
3-amino-N-pentylcyclohexane-1-carboxamide
CID 62775416

Frequently Asked Questions

What is the IUPAC name of 4-N,3-dibutylpyrrolidine-3,4-dicarboxamide?
The IUPAC name of 4-N,3-dibutylpyrrolidine-3,4-dicarboxamide (CID 159070623) is 4-N,3-dibutylpyrrolidine-3,4-dicarboxamide.
What is the SMILES notation for 4-N,3-dibutylpyrrolidine-3,4-dicarboxamide?
The canonical SMILES for 4-N,3-dibutylpyrrolidine-3,4-dicarboxamide is CCCCNC(=O)C1CNCC1(CCCC)C(N)=O.
What is the InChIKey of 4-N,3-dibutylpyrrolidine-3,4-dicarboxamide?
The InChIKey is JZPIEHHLGQZCNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27N3O2/c1-3-5-7-14(13(15)19)10-16-9-11(14)12(18)17-8-6-4-2/h11,16H,3-10H2,1-2H3,(H2,15,19)(H,17,18).
What are the key properties of 4-N,3-dibutylpyrrolidine-3,4-dicarboxamide?
4-N,3-dibutylpyrrolidine-3,4-dicarboxamide has a molecular weight of 269.39 g/mol, XLogP of 0.78, 8 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N,3-dibutylpyrrolidine-3,4-dicarboxamide is sourced from PubChem (CID 159070623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).