(3S)-1-cyclohexyl-N-[(1R)-1-(furan-2-yl)ethyl]-N-methylpyrrolidine-3-carboxamide

C18H28N2O2 — CID 95788715

IUPAC(3S)-1-cyclohexyl-N-[(1R)-1-(furan-2-yl)ethyl]-N-methylpyrrolidine-3-carboxamide
SMILESC[C@H](c1ccco1)N(C)C(=O)[C@H]1CCN(C2CCCCC2)C1
InChIInChI=1S/C18H28N2O2/c1-14(17-9-6-12-22-17)19(2)18(21)15-10-11-20(13-15)16-7-4-3-5-8-16/h6,9,12,14-16H,3-5,7-8,10-11,13H2,1-2H3/t14-,15+/m1/s1
InChIKeyCSQBDUMVACLGMJ-CABCVRRESA-N
MW304.43 g/mol
LogP3.45
Rot. Bonds4

About (3S)-1-cyclohexyl-N-[(1R)-1-(furan-2-yl)ethyl]-N-methylpyrrolidine-3-carboxamide

(3S)-1-cyclohexyl-N-[(1R)-1-(furan-2-yl)ethyl]-N-methylpyrrolidine-3-carboxamide (PubChem CID 95788715) has the molecular formula C18H28N2O2 and a molecular weight of 304.43 g/mol. Its IUPAC name is (3S)-1-cyclohexyl-N-[(1R)-1-(furan-2-yl)ethyl]-N-methylpyrrolidine-3-carboxamide.

Molecular Properties

Compound Name(3S)-1-cyclohexyl-N-[(1R)-1-(furan-2-yl)ethyl]-N-methylpyrrolidine-3-carboxamide
PubChem CID95788715
Molecular FormulaC18H28N2O2
Molecular Weight304.43 g/mol
Exact Mass304.22
IUPAC Name(3S)-1-cyclohexyl-N-[(1R)-1-(furan-2-yl)ethyl]-N-methylpyrrolidine-3-carboxamide
SMILESC[C@H](c1ccco1)N(C)C(=O)[C@H]1CCN(C2CCCCC2)C1
InChIInChI=1S/C18H28N2O2/c1-14(17-9-6-12-22-17)19(2)18(21)15-10-11-20(13-15)16-7-4-3-5-8-16/h6,9,12,14-16H,3-5,7-8,10-11,13H2,1-2H3/t14-,15+/m1/s1
InChIKeyCSQBDUMVACLGMJ-CABCVRRESA-N
XLogP3.45
TPSA36.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.43
LogP ≤ 53.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-(furan-2-yl)ethyl]-N-methyl-1-(tetrazolo[1,5-b]pyridazin-6-yl)piperidine-4-carboxamide
CID 78852969
1-cyclohexyl-N-methyl-N-[1-(1,3-thiazol-5-yl)ethyl]piperidine-4-carboxamide
CID 72863602
1-(furan-2-carbonyl)-N-methyl-N-[1-(4-methylphenyl)ethyl]piperidine-4-carboxamide
CID 134054283
(3S)-1-cyclohexyl-N-(furan-2-ylmethyl)-N-(2-hydroxyethyl)piperidine-3-carboxamide
CID 95119803
anisole;1-cyclohexylpyrrolidine-3-carboxylic acid;ethane
CID 144968395
N-[1-(furan-2-yl)ethyl]-N,4-dimethylpentanamide
CID 78853140
(3S)-1-cyclohexyl-N-methyl-N-(1H-pyrazol-5-ylmethyl)pyrrolidine-3-carboxamide
CID 97220946
1-(furan-2-carbonyl)-N-methyl-N-propan-2-ylpiperidine-2-carboxamide
CID 87045075
1-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)-1-(furan-2-yl)propan-2-amine
CID 79931767
(3S)-N-[(1S)-1-(furan-2-yl)ethyl]-N-methyl-1-[2-(2-methyl-1,3-benzothiazol-5-yl)-1,3-dioxoisoindol-4-yl]piperidine-3-carboxamide
CID 98336626
1-[1-(1-benzofuran-2-yl)ethyl]-3-(1-cyclohexylpiperidin-4-yl)-1-methylurea
CID 126786259
1-cyclohexyl-1-[1-(furan-2-yl)ethyl]-3-phenylurea
CID 4064420

Frequently Asked Questions

What is the IUPAC name of (3S)-1-cyclohexyl-N-[(1R)-1-(furan-2-yl)ethyl]-N-methylpyrrolidine-3-carboxamide?
The IUPAC name of (3S)-1-cyclohexyl-N-[(1R)-1-(furan-2-yl)ethyl]-N-methylpyrrolidine-3-carboxamide (CID 95788715) is (3S)-1-cyclohexyl-N-[(1R)-1-(furan-2-yl)ethyl]-N-methylpyrrolidine-3-carboxamide.
What is the SMILES notation for (3S)-1-cyclohexyl-N-[(1R)-1-(furan-2-yl)ethyl]-N-methylpyrrolidine-3-carboxamide?
The canonical SMILES for (3S)-1-cyclohexyl-N-[(1R)-1-(furan-2-yl)ethyl]-N-methylpyrrolidine-3-carboxamide is C[C@H](c1ccco1)N(C)C(=O)[C@H]1CCN(C2CCCCC2)C1.
What is the InChIKey of (3S)-1-cyclohexyl-N-[(1R)-1-(furan-2-yl)ethyl]-N-methylpyrrolidine-3-carboxamide?
The InChIKey is CSQBDUMVACLGMJ-CABCVRRESA-N. The full InChI is InChI=1S/C18H28N2O2/c1-14(17-9-6-12-22-17)19(2)18(21)15-10-11-20(13-15)16-7-4-3-5-8-16/h6,9,12,14-16H,3-5,7-8,10-11,13H2,1-2H3/t14-,15+/m1/s1.
What are the key properties of (3S)-1-cyclohexyl-N-[(1R)-1-(furan-2-yl)ethyl]-N-methylpyrrolidine-3-carboxamide?
(3S)-1-cyclohexyl-N-[(1R)-1-(furan-2-yl)ethyl]-N-methylpyrrolidine-3-carboxamide has a molecular weight of 304.43 g/mol, XLogP of 3.45, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-1-cyclohexyl-N-[(1R)-1-(furan-2-yl)ethyl]-N-methylpyrrolidine-3-carboxamide is sourced from PubChem (CID 95788715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).