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

C20H22N2O2 — CID 58946267

IUPACN-[2-[5-methoxy-2-(3-methylphenyl)-1H-indol-3-yl]ethyl]acetamide
SMILESCOc1ccc2[nH]c(-c3cccc(C)c3)c(CCNC(C)=O)c2c1
InChIInChI=1S/C20H22N2O2/c1-13-5-4-6-15(11-13)20-17(9-10-21-14(2)23)18-12-16(24-3)7-8-19(18)22-20/h4-8,11-12,22H,9-10H2,1-3H3,(H,21,23)
InChIKeyNARUCWTZKGWVSF-UHFFFAOYSA-N
MW322.41 g/mol
LogP3.83
Rot. Bonds5

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

N-[2-[5-methoxy-2-(3-methylphenyl)-1H-indol-3-yl]ethyl]acetamide (PubChem CID 58946267) has the molecular formula C20H22N2O2 and a molecular weight of 322.41 g/mol. Its IUPAC name is N-[2-[5-methoxy-2-(3-methylphenyl)-1H-indol-3-yl]ethyl]acetamide.

Molecular Properties

Compound NameN-[2-[5-methoxy-2-(3-methylphenyl)-1H-indol-3-yl]ethyl]acetamide
PubChem CID58946267
Molecular FormulaC20H22N2O2
Molecular Weight322.41 g/mol
Exact Mass322.17
IUPAC NameN-[2-[5-methoxy-2-(3-methylphenyl)-1H-indol-3-yl]ethyl]acetamide
SMILESCOc1ccc2[nH]c(-c3cccc(C)c3)c(CCNC(C)=O)c2c1
InChIInChI=1S/C20H22N2O2/c1-13-5-4-6-15(11-13)20-17(9-10-21-14(2)23)18-12-16(24-3)7-8-19(18)22-20/h4-8,11-12,22H,9-10H2,1-3H3,(H,21,23)
InChIKeyNARUCWTZKGWVSF-UHFFFAOYSA-N
XLogP3.83
TPSA54.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.41
LogP ≤ 53.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[2-[2-(3-ethoxyphenyl)-5-methoxy-1H-indol-3-yl]ethyl]acetamide
CID 58946255
N-[2-[2-(furan-2-yl)-5-methoxy-1H-indol-3-yl]ethyl]acetamide
CID 58946209
N-[2-(2-acetyl-5-methoxy-1H-indol-3-yl)ethyl]acetamide
CID 15382326
N-[2-[2-[3-chloro-2-(iodomethyl)phenyl]-5-methoxy-1H-indol-3-yl]ethyl]acetamide
CID 89340135
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-[5-methoxy-2-(4-methylphenyl)sulfanyl-1H-indol-3-yl]ethyl]acetamide
CID 146163548
N-[2-(5-methoxy-2-pentyl-1H-indol-3-yl)ethyl]acetamide
CID 68726769
2-(5-methoxy-2-phenyl-1H-indol-3-yl)acetic acid
CID 3597167
2-[2-(3-bromophenyl)-5-methoxy-1H-indol-3-yl]acetic acid
CID 4037576
N-[2-[2-(cyclohexanecarbonyl)-5-methoxy-1H-indol-3-yl]ethyl]acetamide
CID 15382330
N-[2-[2-[(4-chloro-N-methylanilino)methyl]-5-methoxy-1H-indol-3-yl]ethyl]acetamide
CID 45269183

Frequently Asked Questions

What is the IUPAC name of N-[2-[5-methoxy-2-(3-methylphenyl)-1H-indol-3-yl]ethyl]acetamide?
The IUPAC name of N-[2-[5-methoxy-2-(3-methylphenyl)-1H-indol-3-yl]ethyl]acetamide (CID 58946267) is N-[2-[5-methoxy-2-(3-methylphenyl)-1H-indol-3-yl]ethyl]acetamide.
What is the SMILES notation for N-[2-[5-methoxy-2-(3-methylphenyl)-1H-indol-3-yl]ethyl]acetamide?
The canonical SMILES for N-[2-[5-methoxy-2-(3-methylphenyl)-1H-indol-3-yl]ethyl]acetamide is COc1ccc2[nH]c(-c3cccc(C)c3)c(CCNC(C)=O)c2c1.
What is the InChIKey of N-[2-[5-methoxy-2-(3-methylphenyl)-1H-indol-3-yl]ethyl]acetamide?
The InChIKey is NARUCWTZKGWVSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N2O2/c1-13-5-4-6-15(11-13)20-17(9-10-21-14(2)23)18-12-16(24-3)7-8-19(18)22-20/h4-8,11-12,22H,9-10H2,1-3H3,(H,21,23).
What are the key properties of N-[2-[5-methoxy-2-(3-methylphenyl)-1H-indol-3-yl]ethyl]acetamide?
N-[2-[5-methoxy-2-(3-methylphenyl)-1H-indol-3-yl]ethyl]acetamide has a molecular weight of 322.41 g/mol, XLogP of 3.83, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[5-methoxy-2-(3-methylphenyl)-1H-indol-3-yl]ethyl]acetamide is sourced from PubChem (CID 58946267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).