2-N-butyl-1-N-cyclohexylpyrrolidine-1,2-dicarboxamide

C16H29N3O2 — CID 3221232

IUPAC2-N-butyl-1-N-cyclohexylpyrrolidine-1,2-dicarboxamide
SMILESCCCCNC(=O)C1CCCN1C(=O)NC1CCCCC1
InChIInChI=1S/C16H29N3O2/c1-2-3-11-17-15(20)14-10-7-12-19(14)16(21)18-13-8-5-4-6-9-13/h13-14H,2-12H2,1H3,(H,17,20)(H,18,21)
InChIKeyXYCVZMQNTKFWAV-UHFFFAOYSA-N
MW295.43 g/mol
LogP2.41
Rot. Bonds5

About 2-N-butyl-1-N-cyclohexylpyrrolidine-1,2-dicarboxamide

2-N-butyl-1-N-cyclohexylpyrrolidine-1,2-dicarboxamide (PubChem CID 3221232) has the molecular formula C16H29N3O2 and a molecular weight of 295.43 g/mol. Its IUPAC name is 2-N-butyl-1-N-cyclohexylpyrrolidine-1,2-dicarboxamide.

Molecular Properties

Compound Name2-N-butyl-1-N-cyclohexylpyrrolidine-1,2-dicarboxamide
PubChem CID3221232
Molecular FormulaC16H29N3O2
Molecular Weight295.43 g/mol
Exact Mass295.23
IUPAC Name2-N-butyl-1-N-cyclohexylpyrrolidine-1,2-dicarboxamide
SMILESCCCCNC(=O)C1CCCN1C(=O)NC1CCCCC1
InChIInChI=1S/C16H29N3O2/c1-2-3-11-17-15(20)14-10-7-12-19(14)16(21)18-13-8-5-4-6-9-13/h13-14H,2-12H2,1H3,(H,17,20)(H,18,21)
InChIKeyXYCVZMQNTKFWAV-UHFFFAOYSA-N
XLogP2.41
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.43
LogP ≤ 52.41
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)-aminobutyryl-L-proline n-butylamide
CID 11514390
(2S)-aminobutyryl-L-proline n-pentylamide
CID 11615987
L-valyl-L-proline hexylamide
CID 11623539
(2S)-aminobutyryl-L-proline n-propylamide
CID 11637307
(2S)-aminobutyryl-L-prolinamide
CID 11579307
L-norleucyl-L-prolinamide
CID 11615534
L-norvalyl-L-prolinamide
CID 11687141
N1-cyclohexyl-N2-cyclopropylpyrrolidine-1,2-dicarboxamide
CID 3221230
N-cyclohexyl-2-(1,3-dimethyl-2,5-dioxoimidazolidin-4-yl)acetamide
CID 4917364
(2R)-N-cyclohexyl-1-(2-methylpropyl)pyrrolidine-2-carboxamide
CID 60053628
(2R)-1-acetyl-N-methylpyrrolidine-2-carboxamide
CID 45116029
(2S)-aminobutyryl-L-proline (R)-sec-butylamide
CID 11579736

Frequently Asked Questions

What is the IUPAC name of 2-N-butyl-1-N-cyclohexylpyrrolidine-1,2-dicarboxamide?
The IUPAC name of 2-N-butyl-1-N-cyclohexylpyrrolidine-1,2-dicarboxamide (CID 3221232) is 2-N-butyl-1-N-cyclohexylpyrrolidine-1,2-dicarboxamide.
What is the SMILES notation for 2-N-butyl-1-N-cyclohexylpyrrolidine-1,2-dicarboxamide?
The canonical SMILES for 2-N-butyl-1-N-cyclohexylpyrrolidine-1,2-dicarboxamide is CCCCNC(=O)C1CCCN1C(=O)NC1CCCCC1.
What is the InChIKey of 2-N-butyl-1-N-cyclohexylpyrrolidine-1,2-dicarboxamide?
The InChIKey is XYCVZMQNTKFWAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29N3O2/c1-2-3-11-17-15(20)14-10-7-12-19(14)16(21)18-13-8-5-4-6-9-13/h13-14H,2-12H2,1H3,(H,17,20)(H,18,21).
What are the key properties of 2-N-butyl-1-N-cyclohexylpyrrolidine-1,2-dicarboxamide?
2-N-butyl-1-N-cyclohexylpyrrolidine-1,2-dicarboxamide has a molecular weight of 295.43 g/mol, XLogP of 2.41, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-butyl-1-N-cyclohexylpyrrolidine-1,2-dicarboxamide is sourced from PubChem (CID 3221232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).