N-[2-[2-(cyclohexanecarbonyl)-5-methoxy-1H-indol-3-yl]ethyl]acetamide

C20H26N2O3 — CID 15382330

IUPACN-[2-[2-(cyclohexanecarbonyl)-5-methoxy-1H-indol-3-yl]ethyl]acetamide
SMILESCOc1ccc2[nH]c(C(=O)C3CCCCC3)c(CCNC(C)=O)c2c1
InChIInChI=1S/C20H26N2O3/c1-13(23)21-11-10-16-17-12-15(25-2)8-9-18(17)22-19(16)20(24)14-6-4-3-5-7-14/h8-9,12,14,22H,3-7,10-11H2,1-2H3,(H,21,23)
InChIKeyVMBRXQPLKPKPDD-UHFFFAOYSA-N
MW342.44 g/mol
LogP3.62
Rot. Bonds6

About N-[2-[2-(cyclohexanecarbonyl)-5-methoxy-1H-indol-3-yl]ethyl]acetamide

N-[2-[2-(cyclohexanecarbonyl)-5-methoxy-1H-indol-3-yl]ethyl]acetamide (PubChem CID 15382330) has the molecular formula C20H26N2O3 and a molecular weight of 342.44 g/mol. Its IUPAC name is N-[2-[2-(cyclohexanecarbonyl)-5-methoxy-1H-indol-3-yl]ethyl]acetamide.

Molecular Properties

Compound NameN-[2-[2-(cyclohexanecarbonyl)-5-methoxy-1H-indol-3-yl]ethyl]acetamide
PubChem CID15382330
Molecular FormulaC20H26N2O3
Molecular Weight342.44 g/mol
Exact Mass342.19
IUPAC NameN-[2-[2-(cyclohexanecarbonyl)-5-methoxy-1H-indol-3-yl]ethyl]acetamide
SMILESCOc1ccc2[nH]c(C(=O)C3CCCCC3)c(CCNC(C)=O)c2c1
InChIInChI=1S/C20H26N2O3/c1-13(23)21-11-10-16-17-12-15(25-2)8-9-18(17)22-19(16)20(24)14-6-4-3-5-7-14/h8-9,12,14,22H,3-7,10-11H2,1-2H3,(H,21,23)
InChIKeyVMBRXQPLKPKPDD-UHFFFAOYSA-N
XLogP3.62
TPSA71.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.44
LogP ≤ 53.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(2-acetyl-5-methoxy-1H-indol-3-yl)ethyl]acetamide
CID 15382326
N-[2-(5-methoxy-2-methyl-1H-indol-3-yl)ethyl]cyclobutanecarboxamide
CID 113086137
N-[2-(5-methoxy-2-pentyl-1H-indol-3-yl)ethyl]acetamide
CID 68726769
N-[2-[2-(furan-2-yl)-5-methoxy-1H-indol-3-yl]ethyl]acetamide
CID 58946209
N-[2-[5-methoxy-2-(4-methylphenyl)sulfanyl-1H-indol-3-yl]ethyl]acetamide
CID 146163548
N-[2-[5-methoxy-2-(3-methylphenyl)-1H-indol-3-yl]ethyl]acetamide
CID 58946267
3-[2-(ethylcarbamoylamino)ethyl]-5-methoxy-N-methyl-1H-indole-2-carboxamide
CID 118071542
N-[2-(5-methoxy-2-phenyl-1H-indol-3-yl)ethyl]cyclopropanecarboxamide
CID 10042516
N-[2-[2-(5-chloro-2-methoxyphenyl)-5-methoxy-1H-indol-3-yl]ethyl]acetamide
CID 58946204
N-[2-[2-[3-chloro-2-(iodomethyl)phenyl]-5-methoxy-1H-indol-3-yl]ethyl]acetamide
CID 89340135
tert-butyl N-[2-[2-(ethylcarbamoyl)-5-methoxy-1H-indol-3-yl]ethyl]carbamate
CID 118248881
N-[2-[2-(3-ethoxyphenyl)-5-methoxy-1H-indol-3-yl]ethyl]acetamide
CID 58946255

Frequently Asked Questions

What is the IUPAC name of N-[2-[2-(cyclohexanecarbonyl)-5-methoxy-1H-indol-3-yl]ethyl]acetamide?
The IUPAC name of N-[2-[2-(cyclohexanecarbonyl)-5-methoxy-1H-indol-3-yl]ethyl]acetamide (CID 15382330) is N-[2-[2-(cyclohexanecarbonyl)-5-methoxy-1H-indol-3-yl]ethyl]acetamide.
What is the SMILES notation for N-[2-[2-(cyclohexanecarbonyl)-5-methoxy-1H-indol-3-yl]ethyl]acetamide?
The canonical SMILES for N-[2-[2-(cyclohexanecarbonyl)-5-methoxy-1H-indol-3-yl]ethyl]acetamide is COc1ccc2[nH]c(C(=O)C3CCCCC3)c(CCNC(C)=O)c2c1.
What is the InChIKey of N-[2-[2-(cyclohexanecarbonyl)-5-methoxy-1H-indol-3-yl]ethyl]acetamide?
The InChIKey is VMBRXQPLKPKPDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N2O3/c1-13(23)21-11-10-16-17-12-15(25-2)8-9-18(17)22-19(16)20(24)14-6-4-3-5-7-14/h8-9,12,14,22H,3-7,10-11H2,1-2H3,(H,21,23).
What are the key properties of N-[2-[2-(cyclohexanecarbonyl)-5-methoxy-1H-indol-3-yl]ethyl]acetamide?
N-[2-[2-(cyclohexanecarbonyl)-5-methoxy-1H-indol-3-yl]ethyl]acetamide has a molecular weight of 342.44 g/mol, XLogP of 3.62, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[2-(cyclohexanecarbonyl)-5-methoxy-1H-indol-3-yl]ethyl]acetamide is sourced from PubChem (CID 15382330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).