3-(2,5-dihydropyrrol-1-yl)-N-(5-hydroxy-4,4-dimethylpentyl)pyrrolidine-1-carboxamide

C16H29N3O2 — CID 71922247

IUPAC3-(2,5-dihydropyrrol-1-yl)-N-(5-hydroxy-4,4-dimethylpentyl)pyrrolidine-1-carboxamide
SMILESCC(C)(CO)CCCNC(=O)N1CCC(N2CC=CC2)C1
InChIInChI=1S/C16H29N3O2/c1-16(2,13-20)7-5-8-17-15(21)19-11-6-14(12-19)18-9-3-4-10-18/h3-4,14,20H,5-13H2,1-2H3,(H,17,21)
InChIKeyQKXVKYXVUVICGB-UHFFFAOYSA-N
MW295.43 g/mol
LogP1.44
Rot. Bonds6

About 3-(2,5-dihydropyrrol-1-yl)-N-(5-hydroxy-4,4-dimethylpentyl)pyrrolidine-1-carboxamide

3-(2,5-dihydropyrrol-1-yl)-N-(5-hydroxy-4,4-dimethylpentyl)pyrrolidine-1-carboxamide (PubChem CID 71922247) has the molecular formula C16H29N3O2 and a molecular weight of 295.43 g/mol. Its IUPAC name is 3-(2,5-dihydropyrrol-1-yl)-N-(5-hydroxy-4,4-dimethylpentyl)pyrrolidine-1-carboxamide.

Molecular Properties

Compound Name3-(2,5-dihydropyrrol-1-yl)-N-(5-hydroxy-4,4-dimethylpentyl)pyrrolidine-1-carboxamide
PubChem CID71922247
Molecular FormulaC16H29N3O2
Molecular Weight295.43 g/mol
Exact Mass295.23
IUPAC Name3-(2,5-dihydropyrrol-1-yl)-N-(5-hydroxy-4,4-dimethylpentyl)pyrrolidine-1-carboxamide
SMILESCC(C)(CO)CCCNC(=O)N1CCC(N2CC=CC2)C1
InChIInChI=1S/C16H29N3O2/c1-16(2,13-20)7-5-8-17-15(21)19-11-6-14(12-19)18-9-3-4-10-18/h3-4,14,20H,5-13H2,1-2H3,(H,17,21)
InChIKeyQKXVKYXVUVICGB-UHFFFAOYSA-N
XLogP1.44
TPSA55.81 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.43
LogP ≤ 51.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 3-(2,5-dihydropyrrol-1-yl)-N-(5-hydroxy-4,4-dimethylpentyl)pyrrolidine-1-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(3R)-N-[2-[(2-cyclopentylacetyl)amino]ethyl]-3-(2,5-dihydropyrrol-1-yl)pyrrolidine-1-carboxamide
CID 98203475
(3R)-3-(2,5-dihydropyrrol-1-yl)-N-[(3S)-3-phenylbutyl]pyrrolidine-1-carboxamide
CID 98203455
4-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]-N-(5-hydroxy-4,4-dimethylpentyl)piperazine-1-carboxamide
CID 98800182
N-[2-[[C-[3-(2,5-dihydropyrrol-1-yl)pyrrolidin-1-yl]-N-methylcarbonimidoyl]amino]ethyl]-2,2-dimethylpropanamide;hydroiodide
CID 111998188
(3S)-3-(2,5-dihydropyrrol-1-yl)-N-[(2R)-2-methyl-3-pyrrolidin-1-ylpropyl]pyrrolidine-1-carboxamide
CID 98202993
N-(4,4-dimethylpentyl)-4-(hydroxymethyl)piperidine-1-carboxamide
CID 111444336
(2S,6S)-N-(5-hydroxy-4,4-dimethylpentyl)-2,6-dimethylazepane-1-carboxamide
CID 97048775
3-(2,5-dihydropyrrol-1-yl)pyrrolidine-1-carboxamide
CID 130666198
N-[2-(4-cyanophenoxy)ethyl]-3-(2,5-dihydropyrrol-1-yl)pyrrolidine-1-carboxamide
CID 71867864
2-(2-fluorophenyl)-N-(5-hydroxy-4,4-dimethylpentyl)morpholine-4-carboxamide
CID 111755074
2,2-dimethyl-3-[(3-morpholin-4-ylpyrrolidine-1-carbonyl)amino]propanoic acid
CID 115428804
3-(2,5-dihydropyrrol-1-yl)-N-[[1-(2-methoxyethyl)-3,5-dimethylpyrazol-4-yl]methyl]pyrrolidine-1-carboxamide
CID 71868465

Frequently Asked Questions

What is the IUPAC name of 3-(2,5-dihydropyrrol-1-yl)-N-(5-hydroxy-4,4-dimethylpentyl)pyrrolidine-1-carboxamide?
The IUPAC name of 3-(2,5-dihydropyrrol-1-yl)-N-(5-hydroxy-4,4-dimethylpentyl)pyrrolidine-1-carboxamide (CID 71922247) is 3-(2,5-dihydropyrrol-1-yl)-N-(5-hydroxy-4,4-dimethylpentyl)pyrrolidine-1-carboxamide.
What is the SMILES notation for 3-(2,5-dihydropyrrol-1-yl)-N-(5-hydroxy-4,4-dimethylpentyl)pyrrolidine-1-carboxamide?
The canonical SMILES for 3-(2,5-dihydropyrrol-1-yl)-N-(5-hydroxy-4,4-dimethylpentyl)pyrrolidine-1-carboxamide is CC(C)(CO)CCCNC(=O)N1CCC(N2CC=CC2)C1.
What is the InChIKey of 3-(2,5-dihydropyrrol-1-yl)-N-(5-hydroxy-4,4-dimethylpentyl)pyrrolidine-1-carboxamide?
The InChIKey is QKXVKYXVUVICGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29N3O2/c1-16(2,13-20)7-5-8-17-15(21)19-11-6-14(12-19)18-9-3-4-10-18/h3-4,14,20H,5-13H2,1-2H3,(H,17,21).
What are the key properties of 3-(2,5-dihydropyrrol-1-yl)-N-(5-hydroxy-4,4-dimethylpentyl)pyrrolidine-1-carboxamide?
3-(2,5-dihydropyrrol-1-yl)-N-(5-hydroxy-4,4-dimethylpentyl)pyrrolidine-1-carboxamide has a molecular weight of 295.43 g/mol, XLogP of 1.44, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,5-dihydropyrrol-1-yl)-N-(5-hydroxy-4,4-dimethylpentyl)pyrrolidine-1-carboxamide is sourced from PubChem (CID 71922247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).