(2S)-N-[(1S,3R)-3-(6-butoxy-5-methoxy-1H-indol-3-yl)cyclohexyl]oxolane-2-carboxamide

C24H34N2O4 — CID 126553136

IUPAC(2S)-N-[(1S,3R)-3-(6-butoxy-5-methoxy-1H-indol-3-yl)cyclohexyl]oxolane-2-carboxamide
SMILESCCCCOc1cc2[nH]cc([C@@H]3CCC[C@H](NC(=O)[C@@H]4CCCO4)C3)c2cc1OC
InChIInChI=1S/C24H34N2O4/c1-3-4-10-30-23-14-20-18(13-22(23)28-2)19(15-25-20)16-7-5-8-17(12-16)26-24(27)21-9-6-11-29-21/h13-17,21,25H,3-12H2,1-2H3,(H,26,27)/t16-,17+,21+/m1/s1
InChIKeyJPYLICQADSXVKJ-WWMYMODYSA-N
MW414.55 g/mol
LogP4.68
Rot. Bonds8

About (2S)-N-[(1S,3R)-3-(6-butoxy-5-methoxy-1H-indol-3-yl)cyclohexyl]oxolane-2-carboxamide

(2S)-N-[(1S,3R)-3-(6-butoxy-5-methoxy-1H-indol-3-yl)cyclohexyl]oxolane-2-carboxamide (PubChem CID 126553136) has the molecular formula C24H34N2O4 and a molecular weight of 414.55 g/mol. Its IUPAC name is (2S)-N-[(1S,3R)-3-(6-butoxy-5-methoxy-1H-indol-3-yl)cyclohexyl]oxolane-2-carboxamide.

Molecular Properties

Compound Name(2S)-N-[(1S,3R)-3-(6-butoxy-5-methoxy-1H-indol-3-yl)cyclohexyl]oxolane-2-carboxamide
PubChem CID126553136
Molecular FormulaC24H34N2O4
Molecular Weight414.55 g/mol
Exact Mass414.25
IUPAC Name(2S)-N-[(1S,3R)-3-(6-butoxy-5-methoxy-1H-indol-3-yl)cyclohexyl]oxolane-2-carboxamide
SMILESCCCCOc1cc2[nH]cc([C@@H]3CCC[C@H](NC(=O)[C@@H]4CCCO4)C3)c2cc1OC
InChIInChI=1S/C24H34N2O4/c1-3-4-10-30-23-14-20-18(13-22(23)28-2)19(15-25-20)16-7-5-8-17(12-16)26-24(27)21-9-6-11-29-21/h13-17,21,25H,3-12H2,1-2H3,(H,26,27)/t16-,17+,21+/m1/s1
InChIKeyJPYLICQADSXVKJ-WWMYMODYSA-N
XLogP4.68
TPSA72.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.55
LogP ≤ 54.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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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-[(1R,3S)-3-(5-methyl-1H-indol-3-yl)cyclohexyl]oxolane-2-carboxamide
CID 126553219
(2S)-N-[(1S,3R)-3-(5-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)cyclohexyl]oxolane-2-carboxamide
CID 126553234
tert-butyl 6-hydroxy-5-methoxy-3-[(1S,3R)-3-[[(2S)-oxolane-2-carbonyl]amino]cyclohexyl]indole-1-carboxylate
CID 154513962
2-tert-butyl-6-(2-hydroxyethyl)-5-methoxy-3-[(1S,3R)-3-(oxolane-2-carbonylamino)cyclohexyl]indole-1-carboxylic acid
CID 126522936
N-[1-(3,4,5-trimethoxybenzoyl)piperidin-4-yl]oxolane-2-carboxamide
CID 108555226
(2R)-N-[2-(5-methoxy-1H-indol-3-yl)ethyl]oxolane-2-carboxamide
CID 7068767
(2R)-N-[(1R,3S)-3-(5-methoxy-2-methyl-2,3-dihydro-1H-indol-3-yl)cyclohexyl]oxane-2-carboxamide
CID 126553064
3-methoxy-N-[2-[(3-methoxy-4-octoxybenzoyl)amino]cyclopentyl]-4-octoxybenzamide
CID 54538637
N-[2-(2-methoxy-4,5-dimethylphenyl)ethyl]oxolane-2-carboxamide
CID 110788043
cyclohexane;2-[(5-methoxy-1H-indol-6-yl)oxy]acetamide;(2S)-oxolane-2-carboxamide
CID 145244112
oxolan-2-yl-(5-propoxy-1H-indol-3-yl)methanone
CID 80643741

Frequently Asked Questions

What is the IUPAC name of (2S)-N-[(1S,3R)-3-(6-butoxy-5-methoxy-1H-indol-3-yl)cyclohexyl]oxolane-2-carboxamide?
The IUPAC name of (2S)-N-[(1S,3R)-3-(6-butoxy-5-methoxy-1H-indol-3-yl)cyclohexyl]oxolane-2-carboxamide (CID 126553136) is (2S)-N-[(1S,3R)-3-(6-butoxy-5-methoxy-1H-indol-3-yl)cyclohexyl]oxolane-2-carboxamide.
What is the SMILES notation for (2S)-N-[(1S,3R)-3-(6-butoxy-5-methoxy-1H-indol-3-yl)cyclohexyl]oxolane-2-carboxamide?
The canonical SMILES for (2S)-N-[(1S,3R)-3-(6-butoxy-5-methoxy-1H-indol-3-yl)cyclohexyl]oxolane-2-carboxamide is CCCCOc1cc2[nH]cc([C@@H]3CCC[C@H](NC(=O)[C@@H]4CCCO4)C3)c2cc1OC.
What is the InChIKey of (2S)-N-[(1S,3R)-3-(6-butoxy-5-methoxy-1H-indol-3-yl)cyclohexyl]oxolane-2-carboxamide?
The InChIKey is JPYLICQADSXVKJ-WWMYMODYSA-N. The full InChI is InChI=1S/C24H34N2O4/c1-3-4-10-30-23-14-20-18(13-22(23)28-2)19(15-25-20)16-7-5-8-17(12-16)26-24(27)21-9-6-11-29-21/h13-17,21,25H,3-12H2,1-2H3,(H,26,27)/t16-,17+,21+/m1/s1.
What are the key properties of (2S)-N-[(1S,3R)-3-(6-butoxy-5-methoxy-1H-indol-3-yl)cyclohexyl]oxolane-2-carboxamide?
(2S)-N-[(1S,3R)-3-(6-butoxy-5-methoxy-1H-indol-3-yl)cyclohexyl]oxolane-2-carboxamide has a molecular weight of 414.55 g/mol, XLogP of 4.68, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-[(1S,3R)-3-(6-butoxy-5-methoxy-1H-indol-3-yl)cyclohexyl]oxolane-2-carboxamide is sourced from PubChem (CID 126553136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).