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

C15H18N2O3 — CID 15382326

IUPACN-[2-(2-acetyl-5-methoxy-1H-indol-3-yl)ethyl]acetamide
SMILESCOc1ccc2[nH]c(C(C)=O)c(CCNC(C)=O)c2c1
InChIInChI=1S/C15H18N2O3/c1-9(18)15-12(6-7-16-10(2)19)13-8-11(20-3)4-5-14(13)17-15/h4-5,8,17H,6-7H2,1-3H3,(H,16,19)
InChIKeyKQVVZVZGAFWPEH-UHFFFAOYSA-N
MW274.32 g/mol
LogP2.06
Rot. Bonds5

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

N-[2-(2-acetyl-5-methoxy-1H-indol-3-yl)ethyl]acetamide (PubChem CID 15382326) has the molecular formula C15H18N2O3 and a molecular weight of 274.32 g/mol. Its IUPAC name is N-[2-(2-acetyl-5-methoxy-1H-indol-3-yl)ethyl]acetamide.

Molecular Properties

Compound NameN-[2-(2-acetyl-5-methoxy-1H-indol-3-yl)ethyl]acetamide
PubChem CID15382326
Molecular FormulaC15H18N2O3
Molecular Weight274.32 g/mol
Exact Mass274.13
IUPAC NameN-[2-(2-acetyl-5-methoxy-1H-indol-3-yl)ethyl]acetamide
SMILESCOc1ccc2[nH]c(C(C)=O)c(CCNC(C)=O)c2c1
InChIInChI=1S/C15H18N2O3/c1-9(18)15-12(6-7-16-10(2)19)13-8-11(20-3)4-5-14(13)17-15/h4-5,8,17H,6-7H2,1-3H3,(H,16,19)
InChIKeyKQVVZVZGAFWPEH-UHFFFAOYSA-N
XLogP2.06
TPSA71.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.32
LogP ≤ 52.06
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-(cyclohexanecarbonyl)-5-methoxy-1H-indol-3-yl]ethyl]acetamide
CID 15382330
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-[2-(5-chloro-2-methoxyphenyl)-5-methoxy-1H-indol-3-yl]ethyl]acetamide
CID 58946204
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
N-[2-[2-[(4-chloro-N-methylanilino)methyl]-5-methoxy-1H-indol-3-yl]ethyl]acetamide
CID 45269183
N-[2-[2-[3-chloro-2-(iodomethyl)phenyl]-5-methoxy-1H-indol-3-yl]ethyl]acetamide
CID 89340135
3-(2-hydroxyethyl)-5-methoxy-N-methyl-1H-indole-2-carboxamide
CID 14020208

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-acetyl-5-methoxy-1H-indol-3-yl)ethyl]acetamide?
The IUPAC name of N-[2-(2-acetyl-5-methoxy-1H-indol-3-yl)ethyl]acetamide (CID 15382326) is N-[2-(2-acetyl-5-methoxy-1H-indol-3-yl)ethyl]acetamide.
What is the SMILES notation for N-[2-(2-acetyl-5-methoxy-1H-indol-3-yl)ethyl]acetamide?
The canonical SMILES for N-[2-(2-acetyl-5-methoxy-1H-indol-3-yl)ethyl]acetamide is COc1ccc2[nH]c(C(C)=O)c(CCNC(C)=O)c2c1.
What is the InChIKey of N-[2-(2-acetyl-5-methoxy-1H-indol-3-yl)ethyl]acetamide?
The InChIKey is KQVVZVZGAFWPEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O3/c1-9(18)15-12(6-7-16-10(2)19)13-8-11(20-3)4-5-14(13)17-15/h4-5,8,17H,6-7H2,1-3H3,(H,16,19).
What are the key properties of N-[2-(2-acetyl-5-methoxy-1H-indol-3-yl)ethyl]acetamide?
N-[2-(2-acetyl-5-methoxy-1H-indol-3-yl)ethyl]acetamide has a molecular weight of 274.32 g/mol, XLogP of 2.06, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-acetyl-5-methoxy-1H-indol-3-yl)ethyl]acetamide is sourced from PubChem (CID 15382326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).