3-ethyl-5-methoxy-N-[3-methyl-2-[(Z)-pent-2-enyl]cyclopentyl]-1H-indole-2-carboxamide

C23H32N2O2 — CID 101090835

IUPAC3-ethyl-5-methoxy-N-[3-methyl-2-[(Z)-pent-2-enyl]cyclopentyl]-1H-indole-2-carboxamide
SMILESCC/C=C\CC1C(C)CCC1NC(=O)c1[nH]c2ccc(OC)cc2c1CC
InChIInChI=1S/C23H32N2O2/c1-5-7-8-9-18-15(3)10-12-20(18)25-23(26)22-17(6-2)19-14-16(27-4)11-13-21(19)24-22/h7-8,11,13-15,18,20,24H,5-6,9-10,12H2,1-4H3,(H,25,26)/b8-7-
InChIKeyCNBPJJGTUVHSIN-FPLPWBNLSA-N
MW368.52 g/mol
LogP5.24
Rot. Bonds7

About 3-ethyl-5-methoxy-N-[3-methyl-2-[(Z)-pent-2-enyl]cyclopentyl]-1H-indole-2-carboxamide

3-ethyl-5-methoxy-N-[3-methyl-2-[(Z)-pent-2-enyl]cyclopentyl]-1H-indole-2-carboxamide (PubChem CID 101090835) has the molecular formula C23H32N2O2 and a molecular weight of 368.52 g/mol. Its IUPAC name is 3-ethyl-5-methoxy-N-[3-methyl-2-[(Z)-pent-2-enyl]cyclopentyl]-1H-indole-2-carboxamide.

Molecular Properties

Compound Name3-ethyl-5-methoxy-N-[3-methyl-2-[(Z)-pent-2-enyl]cyclopentyl]-1H-indole-2-carboxamide
PubChem CID101090835
Molecular FormulaC23H32N2O2
Molecular Weight368.52 g/mol
Exact Mass368.25
IUPAC Name3-ethyl-5-methoxy-N-[3-methyl-2-[(Z)-pent-2-enyl]cyclopentyl]-1H-indole-2-carboxamide
SMILESCC/C=C\CC1C(C)CCC1NC(=O)c1[nH]c2ccc(OC)cc2c1CC
InChIInChI=1S/C23H32N2O2/c1-5-7-8-9-18-15(3)10-12-20(18)25-23(26)22-17(6-2)19-14-16(27-4)11-13-21(19)24-22/h7-8,11,13-15,18,20,24H,5-6,9-10,12H2,1-4H3,(H,25,26)/b8-7-
InChIKeyCNBPJJGTUVHSIN-FPLPWBNLSA-N
XLogP5.24
TPSA54.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500368.52
LogP ≤ 55.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

3-(2-hydroxyethyl)-5-methoxy-N-methyl-1H-indole-2-carboxamide
CID 14020208
tert-butyl N-[2-[2-(ethylcarbamoyl)-5-methoxy-1H-indol-3-yl]ethyl]carbamate
CID 118248881
3-ethyl-N-[(3S,4R)-3-methoxyoxan-4-yl]-1H-indole-2-carboxamide
CID 91772747
3-[(2-ethylbutanoylamino)methyl]-5-methoxy-1H-indole-2-carboxylic acid
CID 94949022
3-[2-(ethylcarbamoylamino)ethyl]-5-methoxy-N-methyl-1H-indole-2-carboxamide
CID 118071542
N-cyclohexyl-2-(5-methoxy-2-methyl-1H-indol-3-yl)acetamide
CID 113212089
3-ethyl-5-fluoro-N-[(3R)-oxan-3-yl]-1H-indole-2-carboxamide
CID 51496460
N-[2-[2-(cyclohexanecarbonyl)-5-methoxy-1H-indol-3-yl]ethyl]acetamide
CID 15382330
N-[2-(2-acetyl-5-methoxy-1H-indol-3-yl)ethyl]acetamide
CID 15382326
ethyl 3-(2-ethoxy-2-oxoethyl)-5-methoxy-1H-indole-2-carboxylate
CID 10590673
tert-butyl 2-(2-cyclopropyl-5-methoxy-1H-indol-3-yl)acetate
CID 101043058
N-(4-ethylphenyl)-5-methoxy-3-methyl-1H-indole-2-carboxamide
CID 113204869

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-5-methoxy-N-[3-methyl-2-[(Z)-pent-2-enyl]cyclopentyl]-1H-indole-2-carboxamide?
The IUPAC name of 3-ethyl-5-methoxy-N-[3-methyl-2-[(Z)-pent-2-enyl]cyclopentyl]-1H-indole-2-carboxamide (CID 101090835) is 3-ethyl-5-methoxy-N-[3-methyl-2-[(Z)-pent-2-enyl]cyclopentyl]-1H-indole-2-carboxamide.
What is the SMILES notation for 3-ethyl-5-methoxy-N-[3-methyl-2-[(Z)-pent-2-enyl]cyclopentyl]-1H-indole-2-carboxamide?
The canonical SMILES for 3-ethyl-5-methoxy-N-[3-methyl-2-[(Z)-pent-2-enyl]cyclopentyl]-1H-indole-2-carboxamide is CC/C=C\CC1C(C)CCC1NC(=O)c1[nH]c2ccc(OC)cc2c1CC.
What is the InChIKey of 3-ethyl-5-methoxy-N-[3-methyl-2-[(Z)-pent-2-enyl]cyclopentyl]-1H-indole-2-carboxamide?
The InChIKey is CNBPJJGTUVHSIN-FPLPWBNLSA-N. The full InChI is InChI=1S/C23H32N2O2/c1-5-7-8-9-18-15(3)10-12-20(18)25-23(26)22-17(6-2)19-14-16(27-4)11-13-21(19)24-22/h7-8,11,13-15,18,20,24H,5-6,9-10,12H2,1-4H3,(H,25,26)/b8-7-.
What are the key properties of 3-ethyl-5-methoxy-N-[3-methyl-2-[(Z)-pent-2-enyl]cyclopentyl]-1H-indole-2-carboxamide?
3-ethyl-5-methoxy-N-[3-methyl-2-[(Z)-pent-2-enyl]cyclopentyl]-1H-indole-2-carboxamide has a molecular weight of 368.52 g/mol, XLogP of 5.24, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-5-methoxy-N-[3-methyl-2-[(Z)-pent-2-enyl]cyclopentyl]-1H-indole-2-carboxamide is sourced from PubChem (CID 101090835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).