N-[2-(furan-2-yl)-2-hydroxypropyl]-1-(4-methylcyclohexyl)-5-oxopyrrolidine-3-carboxamide

C19H28N2O4 — CID 111482781

IUPACN-[2-(furan-2-yl)-2-hydroxypropyl]-1-(4-methylcyclohexyl)-5-oxopyrrolidine-3-carboxamide
SMILESCC1CCC(N2CC(C(=O)NCC(C)(O)c3ccco3)CC2=O)CC1
InChIInChI=1S/C19H28N2O4/c1-13-5-7-15(8-6-13)21-11-14(10-17(21)22)18(23)20-12-19(2,24)16-4-3-9-25-16/h3-4,9,13-15,24H,5-8,10-12H2,1-2H3,(H,20,23)
InChIKeyIXWYAPIZIFATNH-UHFFFAOYSA-N
MW348.44 g/mol
LogP2.03
Rot. Bonds5

About N-[2-(furan-2-yl)-2-hydroxypropyl]-1-(4-methylcyclohexyl)-5-oxopyrrolidine-3-carboxamide

N-[2-(furan-2-yl)-2-hydroxypropyl]-1-(4-methylcyclohexyl)-5-oxopyrrolidine-3-carboxamide (PubChem CID 111482781) has the molecular formula C19H28N2O4 and a molecular weight of 348.44 g/mol. Its IUPAC name is N-[2-(furan-2-yl)-2-hydroxypropyl]-1-(4-methylcyclohexyl)-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-[2-(furan-2-yl)-2-hydroxypropyl]-1-(4-methylcyclohexyl)-5-oxopyrrolidine-3-carboxamide
PubChem CID111482781
Molecular FormulaC19H28N2O4
Molecular Weight348.44 g/mol
Exact Mass348.20
IUPAC NameN-[2-(furan-2-yl)-2-hydroxypropyl]-1-(4-methylcyclohexyl)-5-oxopyrrolidine-3-carboxamide
SMILESCC1CCC(N2CC(C(=O)NCC(C)(O)c3ccco3)CC2=O)CC1
InChIInChI=1S/C19H28N2O4/c1-13-5-7-15(8-6-13)21-11-14(10-17(21)22)18(23)20-12-19(2,24)16-4-3-9-25-16/h3-4,9,13-15,24H,5-8,10-12H2,1-2H3,(H,20,23)
InChIKeyIXWYAPIZIFATNH-UHFFFAOYSA-N
XLogP2.03
TPSA82.78 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.44
LogP ≤ 52.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-[2-(furan-2-yl)-2-hydroxypropyl]-1-(4-methylcyclohexyl)-5-oxopyrrolidine-3-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-(furan-2-yl)-2-hydroxypropyl]cyclopropanecarboxamide
CID 71782530
(3R)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[(2S)-2-(furan-2-yl)-2-hydroxypropyl]-5-oxopyrrolidine-3-carboxamide
CID 95783076
(3R)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[(2R)-2-(furan-2-yl)-2-hydroxypropyl]-5-oxopyrrolidine-3-carboxamide
CID 95783075
(3S)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[(2S)-2-(furan-2-yl)-2-hydroxypropyl]-5-oxopyrrolidine-3-carboxamide
CID 95783078
(3S)-1-cyclopropyl-N-(3-hydroxy-2,2-dimethylpropyl)-5-oxopyrrolidine-3-carboxamide
CID 95129510
2-[[2-(furan-2-yl)-2-hydroxypropyl]carbamoyl]cyclobutane-1-carboxylic acid
CID 120976425
1-(cyclopropanecarbonyl)-N-[2-(furan-2-yl)-2-hydroxypropyl]piperidine-3-carboxamide
CID 111482746
1-(furan-2-ylmethyl)-N-(2-hydroxy-2-phenylpropyl)-5-oxopyrrolidine-3-carboxamide
CID 111335248
4-[[1-(4-methylcyclohexyl)-5-oxopyrrolidine-3-carbonyl]amino]butanoic acid
CID 119170704
N-[2-(ethylamino)ethyl]-1-(4-methylcyclohexyl)-5-oxopyrrolidine-3-carboxamide;hydrochloride
CID 119504992
3-[(1-cyclopentyl-5-oxopyrrolidine-3-carbonyl)amino]-2,2-dimethylpropanoic acid
CID 81369322
4-[4-(furan-2-ylmethyl)piperazine-1-carbonyl]-1-(4-methylcyclohexyl)pyrrolidin-2-one
CID 86902965

Frequently Asked Questions

What is the IUPAC name of N-[2-(furan-2-yl)-2-hydroxypropyl]-1-(4-methylcyclohexyl)-5-oxopyrrolidine-3-carboxamide?
The IUPAC name of N-[2-(furan-2-yl)-2-hydroxypropyl]-1-(4-methylcyclohexyl)-5-oxopyrrolidine-3-carboxamide (CID 111482781) is N-[2-(furan-2-yl)-2-hydroxypropyl]-1-(4-methylcyclohexyl)-5-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for N-[2-(furan-2-yl)-2-hydroxypropyl]-1-(4-methylcyclohexyl)-5-oxopyrrolidine-3-carboxamide?
The canonical SMILES for N-[2-(furan-2-yl)-2-hydroxypropyl]-1-(4-methylcyclohexyl)-5-oxopyrrolidine-3-carboxamide is CC1CCC(N2CC(C(=O)NCC(C)(O)c3ccco3)CC2=O)CC1.
What is the InChIKey of N-[2-(furan-2-yl)-2-hydroxypropyl]-1-(4-methylcyclohexyl)-5-oxopyrrolidine-3-carboxamide?
The InChIKey is IXWYAPIZIFATNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N2O4/c1-13-5-7-15(8-6-13)21-11-14(10-17(21)22)18(23)20-12-19(2,24)16-4-3-9-25-16/h3-4,9,13-15,24H,5-8,10-12H2,1-2H3,(H,20,23).
What are the key properties of N-[2-(furan-2-yl)-2-hydroxypropyl]-1-(4-methylcyclohexyl)-5-oxopyrrolidine-3-carboxamide?
N-[2-(furan-2-yl)-2-hydroxypropyl]-1-(4-methylcyclohexyl)-5-oxopyrrolidine-3-carboxamide has a molecular weight of 348.44 g/mol, XLogP of 2.03, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(furan-2-yl)-2-hydroxypropyl]-1-(4-methylcyclohexyl)-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 111482781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).