1-N,2-N-dibutylpyrrolidine-1,2-dicarboxamide

C14H27N3O2 — CID 150722678

IUPAC1-N,2-N-dibutylpyrrolidine-1,2-dicarboxamide
SMILESCCCCNC(=O)C1CCCN1C(=O)NCCCC
InChIInChI=1S/C14H27N3O2/c1-3-5-9-15-13(18)12-8-7-11-17(12)14(19)16-10-6-4-2/h12H,3-11H2,1-2H3,(H,15,18)(H,16,19)
InChIKeyJQENVVKVNLUYSB-UHFFFAOYSA-N
MW269.39 g/mol
LogP1.88
Rot. Bonds7

About 1-N,2-N-dibutylpyrrolidine-1,2-dicarboxamide

1-N,2-N-dibutylpyrrolidine-1,2-dicarboxamide (PubChem CID 150722678) has the molecular formula C14H27N3O2 and a molecular weight of 269.39 g/mol. Its IUPAC name is 1-N,2-N-dibutylpyrrolidine-1,2-dicarboxamide.

Molecular Properties

Compound Name1-N,2-N-dibutylpyrrolidine-1,2-dicarboxamide
PubChem CID150722678
Molecular FormulaC14H27N3O2
Molecular Weight269.39 g/mol
Exact Mass269.21
IUPAC Name1-N,2-N-dibutylpyrrolidine-1,2-dicarboxamide
SMILESCCCCNC(=O)C1CCCN1C(=O)NCCCC
InChIInChI=1S/C14H27N3O2/c1-3-5-9-15-13(18)12-8-7-11-17(12)14(19)16-10-6-4-2/h12H,3-11H2,1-2H3,(H,15,18)(H,16,19)
InChIKeyJQENVVKVNLUYSB-UHFFFAOYSA-N
XLogP1.88
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.39
LogP ≤ 51.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(2S)-N-butyl-2-[(butylcarbamoylamino)carbamoyl]pyrrolidine-1-carboxamide
CID 102288656
[[1-(nonylcarbamoyl)pyrrolidine-2-carbonyl]amino]methylboronic acid
CID 143689897
1-(pentylcarbamoyl)pyrrolidine-2-carboxylic acid
CID 61183075
2-(dodecylcarbamoyl)pyrrolidine-1-carboxylic acid
CID 67813916
(2S)-1-(2-amino-2-methylpropanoyl)-N-butylpyrrolidine-2-carboxamide
CID 11658913
methyl (2R)-1-(butylcarbamoyl)piperidine-2-carboxylate
CID 115536152
1-(2-aminobutanoyl)-N-butylpyrrolidine-2-carboxamide
CID 22451228
(2R)-N-butyl-2-(hydroxymethyl)pyrrolidine-1-carboxamide
CID 78993815
1-N-butyl-2-N-(1-phenylethyl)pyrrolidine-1,2-dicarboxamide
CID 42702590
2-[2-(dodecylcarbamoyl)pyrrolidine-1-carbonyl]pyrrolidine-1-carboxylic acid
CID 67813627
N-butyl-1-methylpyrrolidine-2-carboxamide;ethane;formaldehyde
CID 142213067
4-[(2S)-2-(heptylcarbamoyl)pyrrolidin-1-yl]-4-oxobutanoic acid
CID 177401616

Frequently Asked Questions

What is the IUPAC name of 1-N,2-N-dibutylpyrrolidine-1,2-dicarboxamide?
The IUPAC name of 1-N,2-N-dibutylpyrrolidine-1,2-dicarboxamide (CID 150722678) is 1-N,2-N-dibutylpyrrolidine-1,2-dicarboxamide.
What is the SMILES notation for 1-N,2-N-dibutylpyrrolidine-1,2-dicarboxamide?
The canonical SMILES for 1-N,2-N-dibutylpyrrolidine-1,2-dicarboxamide is CCCCNC(=O)C1CCCN1C(=O)NCCCC.
What is the InChIKey of 1-N,2-N-dibutylpyrrolidine-1,2-dicarboxamide?
The InChIKey is JQENVVKVNLUYSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27N3O2/c1-3-5-9-15-13(18)12-8-7-11-17(12)14(19)16-10-6-4-2/h12H,3-11H2,1-2H3,(H,15,18)(H,16,19).
What are the key properties of 1-N,2-N-dibutylpyrrolidine-1,2-dicarboxamide?
1-N,2-N-dibutylpyrrolidine-1,2-dicarboxamide has a molecular weight of 269.39 g/mol, XLogP of 1.88, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N,2-N-dibutylpyrrolidine-1,2-dicarboxamide is sourced from PubChem (CID 150722678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).