(2S)-N-[(1R,3S)-3-(5-methyl-1H-indol-3-yl)cyclohexyl]oxolane-2-carboxamide

C20H26N2O2 — CID 126553219

IUPAC(2S)-N-[(1R,3S)-3-(5-methyl-1H-indol-3-yl)cyclohexyl]oxolane-2-carboxamide
SMILESCc1ccc2[nH]cc([C@H]3CCC[C@@H](NC(=O)[C@@H]4CCCO4)C3)c2c1
InChIInChI=1S/C20H26N2O2/c1-13-7-8-18-16(10-13)17(12-21-18)14-4-2-5-15(11-14)22-20(23)19-6-3-9-24-19/h7-8,10,12,14-15,19,21H,2-6,9,11H2,1H3,(H,22,23)/t14-,15+,19-/m0/s1
InChIKeyRUYMJUZCRSSCEJ-KHYOSLBOSA-N
MW326.44 g/mol
LogP3.80
Rot. Bonds3

About (2S)-N-[(1R,3S)-3-(5-methyl-1H-indol-3-yl)cyclohexyl]oxolane-2-carboxamide

(2S)-N-[(1R,3S)-3-(5-methyl-1H-indol-3-yl)cyclohexyl]oxolane-2-carboxamide (PubChem CID 126553219) has the molecular formula C20H26N2O2 and a molecular weight of 326.44 g/mol. Its IUPAC name is (2S)-N-[(1R,3S)-3-(5-methyl-1H-indol-3-yl)cyclohexyl]oxolane-2-carboxamide.

Molecular Properties

Compound Name(2S)-N-[(1R,3S)-3-(5-methyl-1H-indol-3-yl)cyclohexyl]oxolane-2-carboxamide
PubChem CID126553219
Molecular FormulaC20H26N2O2
Molecular Weight326.44 g/mol
Exact Mass326.20
IUPAC Name(2S)-N-[(1R,3S)-3-(5-methyl-1H-indol-3-yl)cyclohexyl]oxolane-2-carboxamide
SMILESCc1ccc2[nH]cc([C@H]3CCC[C@@H](NC(=O)[C@@H]4CCCO4)C3)c2c1
InChIInChI=1S/C20H26N2O2/c1-13-7-8-18-16(10-13)17(12-21-18)14-4-2-5-15(11-14)22-20(23)19-6-3-9-24-19/h7-8,10,12,14-15,19,21H,2-6,9,11H2,1H3,(H,22,23)/t14-,15+,19-/m0/s1
InChIKeyRUYMJUZCRSSCEJ-KHYOSLBOSA-N
XLogP3.80
TPSA54.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.44
LogP ≤ 53.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze (2S)-N-[(1R,3S)-3-(5-methyl-1H-indol-3-yl)cyclohexyl]oxolane-2-carboxamide with MolForge

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Related Compounds

(2S)-N-[(1R,3S)-3-(5-methoxy-1H-indol-3-yl)cyclohexyl]oxolane-2-carboxamide;molecular hydrogen
CID 145244044
(2S)-N-[(1S,3R)-3-(5-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)cyclohexyl]oxolane-2-carboxamide
CID 126553234
(2S)-N-[(1S,3R)-3-(6-butoxy-5-methoxy-1H-indol-3-yl)cyclohexyl]oxolane-2-carboxamide
CID 126553136
(2R)-N-[2-(5-methyl-1H-indol-3-yl)ethyl]oxolane-2-carboxamide
CID 7248046
3-[3-(methylamino)cyclohexyl]-1H-indol-5-amine
CID 89186473
tert-butyl N-[2-(5-methyl-1H-indol-3-yl)cyclopentyl]carbamate
CID 3468630
(2S)-N-cyclopentyloxolane-2-carboxamide
CID 7368997
(2R)-N-cyclopentyloxolane-2-carboxamide
CID 7368998
(2S)-N-[4-methyl-2-[[(2R)-oxolane-2-carbonyl]amino]phenyl]oxolane-2-carboxamide
CID 7926588
tert-butyl 6-hydroxy-5-methoxy-3-[(1S,3R)-3-[[(2S)-oxolane-2-carbonyl]amino]cyclohexyl]indole-1-carboxylate
CID 154513962
N-(6-methylspiro[3,4-dihydrochromene-2,4'-oxane]-4-yl)oxolane-2-carboxamide
CID 110213448
(2R)-N-cyclopropyloxolane-2-carboxamide
CID 40569533

Frequently Asked Questions

What is the IUPAC name of (2S)-N-[(1R,3S)-3-(5-methyl-1H-indol-3-yl)cyclohexyl]oxolane-2-carboxamide?
The IUPAC name of (2S)-N-[(1R,3S)-3-(5-methyl-1H-indol-3-yl)cyclohexyl]oxolane-2-carboxamide (CID 126553219) is (2S)-N-[(1R,3S)-3-(5-methyl-1H-indol-3-yl)cyclohexyl]oxolane-2-carboxamide.
What is the SMILES notation for (2S)-N-[(1R,3S)-3-(5-methyl-1H-indol-3-yl)cyclohexyl]oxolane-2-carboxamide?
The canonical SMILES for (2S)-N-[(1R,3S)-3-(5-methyl-1H-indol-3-yl)cyclohexyl]oxolane-2-carboxamide is Cc1ccc2[nH]cc([C@H]3CCC[C@@H](NC(=O)[C@@H]4CCCO4)C3)c2c1.
What is the InChIKey of (2S)-N-[(1R,3S)-3-(5-methyl-1H-indol-3-yl)cyclohexyl]oxolane-2-carboxamide?
The InChIKey is RUYMJUZCRSSCEJ-KHYOSLBOSA-N. The full InChI is InChI=1S/C20H26N2O2/c1-13-7-8-18-16(10-13)17(12-21-18)14-4-2-5-15(11-14)22-20(23)19-6-3-9-24-19/h7-8,10,12,14-15,19,21H,2-6,9,11H2,1H3,(H,22,23)/t14-,15+,19-/m0/s1.
What are the key properties of (2S)-N-[(1R,3S)-3-(5-methyl-1H-indol-3-yl)cyclohexyl]oxolane-2-carboxamide?
(2S)-N-[(1R,3S)-3-(5-methyl-1H-indol-3-yl)cyclohexyl]oxolane-2-carboxamide has a molecular weight of 326.44 g/mol, XLogP of 3.80, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-[(1R,3S)-3-(5-methyl-1H-indol-3-yl)cyclohexyl]oxolane-2-carboxamide is sourced from PubChem (CID 126553219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).