N-(1-cyclohexyl-3-hydroxypropyl)-1-(furan-2-ylmethyl)-5-oxopyrrolidine-3-carboxamide

C19H28N2O4 — CID 75429899

IUPACN-(1-cyclohexyl-3-hydroxypropyl)-1-(furan-2-ylmethyl)-5-oxopyrrolidine-3-carboxamide
SMILESO=C(NC(CCO)C1CCCCC1)C1CC(=O)N(Cc2ccco2)C1
InChIInChI=1S/C19H28N2O4/c22-9-8-17(14-5-2-1-3-6-14)20-19(24)15-11-18(23)21(12-15)13-16-7-4-10-25-16/h4,7,10,14-15,17,22H,1-3,5-6,8-9,11-13H2,(H,20,24)
InChIKeyNZHFGHGNSBLUQD-UHFFFAOYSA-N
MW348.44 g/mol
LogP2.08
Rot. Bonds7

About N-(1-cyclohexyl-3-hydroxypropyl)-1-(furan-2-ylmethyl)-5-oxopyrrolidine-3-carboxamide

N-(1-cyclohexyl-3-hydroxypropyl)-1-(furan-2-ylmethyl)-5-oxopyrrolidine-3-carboxamide (PubChem CID 75429899) has the molecular formula C19H28N2O4 and a molecular weight of 348.44 g/mol. Its IUPAC name is N-(1-cyclohexyl-3-hydroxypropyl)-1-(furan-2-ylmethyl)-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-(1-cyclohexyl-3-hydroxypropyl)-1-(furan-2-ylmethyl)-5-oxopyrrolidine-3-carboxamide
PubChem CID75429899
Molecular FormulaC19H28N2O4
Molecular Weight348.44 g/mol
Exact Mass348.20
IUPAC NameN-(1-cyclohexyl-3-hydroxypropyl)-1-(furan-2-ylmethyl)-5-oxopyrrolidine-3-carboxamide
SMILESO=C(NC(CCO)C1CCCCC1)C1CC(=O)N(Cc2ccco2)C1
InChIInChI=1S/C19H28N2O4/c22-9-8-17(14-5-2-1-3-6-14)20-19(24)15-11-18(23)21(12-15)13-16-7-4-10-25-16/h4,7,10,14-15,17,22H,1-3,5-6,8-9,11-13H2,(H,20,24)
InChIKeyNZHFGHGNSBLUQD-UHFFFAOYSA-N
XLogP2.08
TPSA82.78 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.44
LogP ≤ 52.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(3R)-N-[(1S)-1-cyclohexyl-3-hydroxypropyl]-1-(furan-2-ylmethyl)-5-oxopyrrolidine-3-carboxamide
CID 97235350
N-cyclopentyl-1-(furan-2-ylmethyl)-5-oxopyrrolidine-3-carboxamide
CID 47100703
1-(furan-2-ylmethyl)-N-methyl-5-oxopyrrolidine-3-carboxamide
CID 47099759
(2S)-2-[[(3R)-1-(furan-2-ylmethyl)-5-oxopyrrolidine-3-carbonyl]amino]-2-phenylacetic acid
CID 124701749
(3S)-1-(furan-2-ylmethyl)-N-[(2S)-1-morpholin-4-ylpropan-2-yl]-5-oxopyrrolidine-3-carboxamide
CID 94116635
1-(furan-2-ylmethyl)-5-oxo-N-(1-propan-2-ylpiperidin-4-yl)pyrrolidine-3-carboxamide
CID 51203979
N-[1-(1-adamantyl)ethyl]-1-(furan-2-ylmethyl)-5-oxopyrrolidine-3-carboxamide
CID 42904565
1-(furan-2-ylmethyl)-5-oxopyrrolidine-3-carbonyl chloride
CID 50873925
(3S)-N-[(1S)-1-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]ethyl]-1-(furan-2-ylmethyl)-5-oxopyrrolidine-3-carboxamide
CID 124825448
1-(furan-2-ylmethyl)-5-oxo-N-(2-pyrrolidin-1-ylethyl)pyrrolidine-3-carboxamide
CID 42881863
1-(furan-2-ylmethyl)-5-oxo-N-[4-(propan-2-ylcarbamoyl)phenyl]pyrrolidine-3-carboxamide
CID 55887280
(3S)-N-[(1R)-1-(4-chlorophenyl)propyl]-1-(furan-2-ylmethyl)-5-oxopyrrolidine-3-carboxamide
CID 35751451

Frequently Asked Questions

What is the IUPAC name of N-(1-cyclohexyl-3-hydroxypropyl)-1-(furan-2-ylmethyl)-5-oxopyrrolidine-3-carboxamide?
The IUPAC name of N-(1-cyclohexyl-3-hydroxypropyl)-1-(furan-2-ylmethyl)-5-oxopyrrolidine-3-carboxamide (CID 75429899) is N-(1-cyclohexyl-3-hydroxypropyl)-1-(furan-2-ylmethyl)-5-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for N-(1-cyclohexyl-3-hydroxypropyl)-1-(furan-2-ylmethyl)-5-oxopyrrolidine-3-carboxamide?
The canonical SMILES for N-(1-cyclohexyl-3-hydroxypropyl)-1-(furan-2-ylmethyl)-5-oxopyrrolidine-3-carboxamide is O=C(NC(CCO)C1CCCCC1)C1CC(=O)N(Cc2ccco2)C1.
What is the InChIKey of N-(1-cyclohexyl-3-hydroxypropyl)-1-(furan-2-ylmethyl)-5-oxopyrrolidine-3-carboxamide?
The InChIKey is NZHFGHGNSBLUQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N2O4/c22-9-8-17(14-5-2-1-3-6-14)20-19(24)15-11-18(23)21(12-15)13-16-7-4-10-25-16/h4,7,10,14-15,17,22H,1-3,5-6,8-9,11-13H2,(H,20,24).
What are the key properties of N-(1-cyclohexyl-3-hydroxypropyl)-1-(furan-2-ylmethyl)-5-oxopyrrolidine-3-carboxamide?
N-(1-cyclohexyl-3-hydroxypropyl)-1-(furan-2-ylmethyl)-5-oxopyrrolidine-3-carboxamide has a molecular weight of 348.44 g/mol, XLogP of 2.08, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-cyclohexyl-3-hydroxypropyl)-1-(furan-2-ylmethyl)-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 75429899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).