N-[2-(5-methoxy-2-phenyl-1H-indol-3-yl)ethyl]cyclopropanecarboxamide

C21H22N2O2 — CID 10042516

IUPACN-[2-(5-methoxy-2-phenyl-1H-indol-3-yl)ethyl]cyclopropanecarboxamide
SMILESCOc1ccc2[nH]c(-c3ccccc3)c(CCNC(=O)C3CC3)c2c1
InChIInChI=1S/C21H22N2O2/c1-25-16-9-10-19-18(13-16)17(11-12-22-21(24)15-7-8-15)20(23-19)14-5-3-2-4-6-14/h2-6,9-10,13,15,23H,7-8,11-12H2,1H3,(H,22,24)
InChIKeyHVOBQOQYMLXCPR-UHFFFAOYSA-N
MW334.42 g/mol
LogP3.91
Rot. Bonds6

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

N-[2-(5-methoxy-2-phenyl-1H-indol-3-yl)ethyl]cyclopropanecarboxamide (PubChem CID 10042516) has the molecular formula C21H22N2O2 and a molecular weight of 334.42 g/mol. Its IUPAC name is N-[2-(5-methoxy-2-phenyl-1H-indol-3-yl)ethyl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[2-(5-methoxy-2-phenyl-1H-indol-3-yl)ethyl]cyclopropanecarboxamide
PubChem CID10042516
Molecular FormulaC21H22N2O2
Molecular Weight334.42 g/mol
Exact Mass334.17
IUPAC NameN-[2-(5-methoxy-2-phenyl-1H-indol-3-yl)ethyl]cyclopropanecarboxamide
SMILESCOc1ccc2[nH]c(-c3ccccc3)c(CCNC(=O)C3CC3)c2c1
InChIInChI=1S/C21H22N2O2/c1-25-16-9-10-19-18(13-16)17(11-12-22-21(24)15-7-8-15)20(23-19)14-5-3-2-4-6-14/h2-6,9-10,13,15,23H,7-8,11-12H2,1H3,(H,22,24)
InChIKeyHVOBQOQYMLXCPR-UHFFFAOYSA-N
XLogP3.91
TPSA54.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.42
LogP ≤ 53.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[2-(5-methoxy-2-methyl-1H-indol-3-yl)ethyl]cyclobutanecarboxamide
CID 113086137
2-(5-methoxy-2-phenyl-1H-indol-3-yl)acetic acid
CID 3597167
N-[2-[5-methoxy-2-(3-methylphenyl)-1H-indol-3-yl]ethyl]acetamide
CID 58946267
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
2-chloro-N-[2-(5-methoxy-2-methyl-1H-indol-3-yl)ethyl]benzamide
CID 113086116
N-[2-[2-[3-chloro-2-(iodomethyl)phenyl]-5-methoxy-1H-indol-3-yl]ethyl]acetamide
CID 89340135
3-[2-(4-bromophenyl)-5-methoxy-1H-indol-3-yl]propanoic acid
CID 165440970
N-[2-[2-(cyclohexanecarbonyl)-5-methoxy-1H-indol-3-yl]ethyl]acetamide
CID 15382330
N-[2-[[2-(4-methoxyphenyl)-1H-indol-3-yl]sulfanyl]ethyl]cyclohexanecarboxamide
CID 5093284
N-(2,4-dimethoxyphenyl)-3-(5-fluoro-2-phenyl-1H-indol-3-yl)propanamide
CID 51489549
4-methoxy-N-[2-(3-methoxyphenyl)ethyl]cyclohexane-1-carboxamide
CID 112529647

Frequently Asked Questions

What is the IUPAC name of N-[2-(5-methoxy-2-phenyl-1H-indol-3-yl)ethyl]cyclopropanecarboxamide?
The IUPAC name of N-[2-(5-methoxy-2-phenyl-1H-indol-3-yl)ethyl]cyclopropanecarboxamide (CID 10042516) is N-[2-(5-methoxy-2-phenyl-1H-indol-3-yl)ethyl]cyclopropanecarboxamide.
What is the SMILES notation for N-[2-(5-methoxy-2-phenyl-1H-indol-3-yl)ethyl]cyclopropanecarboxamide?
The canonical SMILES for N-[2-(5-methoxy-2-phenyl-1H-indol-3-yl)ethyl]cyclopropanecarboxamide is COc1ccc2[nH]c(-c3ccccc3)c(CCNC(=O)C3CC3)c2c1.
What is the InChIKey of N-[2-(5-methoxy-2-phenyl-1H-indol-3-yl)ethyl]cyclopropanecarboxamide?
The InChIKey is HVOBQOQYMLXCPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N2O2/c1-25-16-9-10-19-18(13-16)17(11-12-22-21(24)15-7-8-15)20(23-19)14-5-3-2-4-6-14/h2-6,9-10,13,15,23H,7-8,11-12H2,1H3,(H,22,24).
What are the key properties of N-[2-(5-methoxy-2-phenyl-1H-indol-3-yl)ethyl]cyclopropanecarboxamide?
N-[2-(5-methoxy-2-phenyl-1H-indol-3-yl)ethyl]cyclopropanecarboxamide has a molecular weight of 334.42 g/mol, XLogP of 3.91, 6 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-phenyl-1H-indol-3-yl)ethyl]cyclopropanecarboxamide is sourced from PubChem (CID 10042516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).