4-hydroxy-N-(2-propylhexyl)pyrrolidine-2-carboxamide

C14H28N2O2 — CID 119811886

IUPAC4-hydroxy-N-(2-propylhexyl)pyrrolidine-2-carboxamide
SMILESCCCCC(CCC)CNC(=O)C1CC(O)CN1
InChIInChI=1S/C14H28N2O2/c1-3-5-7-11(6-4-2)9-16-14(18)13-8-12(17)10-15-13/h11-13,15,17H,3-10H2,1-2H3,(H,16,18)
InChIKeyVVELJNJBAJOALG-UHFFFAOYSA-N
MW256.39 g/mol
LogP1.43
Rot. Bonds8

About 4-hydroxy-N-(2-propylhexyl)pyrrolidine-2-carboxamide

4-hydroxy-N-(2-propylhexyl)pyrrolidine-2-carboxamide (PubChem CID 119811886) has the molecular formula C14H28N2O2 and a molecular weight of 256.39 g/mol. Its IUPAC name is 4-hydroxy-N-(2-propylhexyl)pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name4-hydroxy-N-(2-propylhexyl)pyrrolidine-2-carboxamide
PubChem CID119811886
Molecular FormulaC14H28N2O2
Molecular Weight256.39 g/mol
Exact Mass256.22
IUPAC Name4-hydroxy-N-(2-propylhexyl)pyrrolidine-2-carboxamide
SMILESCCCCC(CCC)CNC(=O)C1CC(O)CN1
InChIInChI=1S/C14H28N2O2/c1-3-5-7-11(6-4-2)9-16-14(18)13-8-12(17)10-15-13/h11-13,15,17H,3-10H2,1-2H3,(H,16,18)
InChIKeyVVELJNJBAJOALG-UHFFFAOYSA-N
XLogP1.43
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.39
LogP ≤ 51.43
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze 4-hydroxy-N-(2-propylhexyl)pyrrolidine-2-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

N-(2-propylhexyl)pyrrolidine-2-carboxamide;hydrochloride
CID 119339774
(2R,4S)-N-ethyl-4-hydroxypyrrolidine-2-carboxamide
CID 28943534
(2R,4R)-N-[(2S)-2-cyclopropyl-2-(dimethylamino)ethyl]-4-hydroxypyrrolidine-2-carboxamide
CID 124686388
4-hydroxy-N-octylpyrrolidine-2-carboxamide
CID 113337253
4-hydroxy-N-(2-hydroxy-3-methylpentyl)pyrrolidine-2-carboxamide
CID 119784032
4-hydroxy-N-(7-methyloctyl)pyrrolidine-2-carboxamide
CID 61275212
4-hydroxy-N-(1-methoxyhexan-2-yl)pyrrolidine-2-carboxamide
CID 119795711
CID 160581265
CID 160581265
octan-2-yl (2S,4S)-4-hydroxypyrrolidine-2-carboxylate
CID 64714614
N-(2-cyclohexyl-2-hydroxyethyl)-4-hydroxypyrrolidine-2-carboxamide
CID 122145254
(2R,4S)-N-(2,2-diphenylethyl)-4-hydroxypyrrolidine-2-carboxamide
CID 125138942
(2S,4R)-N-(2,2-diphenylethyl)-4-hydroxypyrrolidine-2-carboxamide
CID 125150269

Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-N-(2-propylhexyl)pyrrolidine-2-carboxamide?
The IUPAC name of 4-hydroxy-N-(2-propylhexyl)pyrrolidine-2-carboxamide (CID 119811886) is 4-hydroxy-N-(2-propylhexyl)pyrrolidine-2-carboxamide.
What is the SMILES notation for 4-hydroxy-N-(2-propylhexyl)pyrrolidine-2-carboxamide?
The canonical SMILES for 4-hydroxy-N-(2-propylhexyl)pyrrolidine-2-carboxamide is CCCCC(CCC)CNC(=O)C1CC(O)CN1.
What is the InChIKey of 4-hydroxy-N-(2-propylhexyl)pyrrolidine-2-carboxamide?
The InChIKey is VVELJNJBAJOALG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N2O2/c1-3-5-7-11(6-4-2)9-16-14(18)13-8-12(17)10-15-13/h11-13,15,17H,3-10H2,1-2H3,(H,16,18).
What are the key properties of 4-hydroxy-N-(2-propylhexyl)pyrrolidine-2-carboxamide?
4-hydroxy-N-(2-propylhexyl)pyrrolidine-2-carboxamide has a molecular weight of 256.39 g/mol, XLogP of 1.43, 8 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-N-(2-propylhexyl)pyrrolidine-2-carboxamide is sourced from PubChem (CID 119811886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).