1-[5-[5-(4-aminobutan-2-yl)-2-methoxyphenyl]-2,3-dihydroindol-1-yl]ethanone

C21H26N2O2 — CID 110447602

IUPAC1-[5-[5-(4-aminobutan-2-yl)-2-methoxyphenyl]-2,3-dihydroindol-1-yl]ethanone
SMILESCOc1ccc(C(C)CCN)cc1-c1ccc2c(c1)CCN2C(C)=O
InChIInChI=1S/C21H26N2O2/c1-14(8-10-22)16-5-7-21(25-3)19(13-16)17-4-6-20-18(12-17)9-11-23(20)15(2)24/h4-7,12-14H,8-11,22H2,1-3H3
InChIKeyMXEORPMWBZWBDR-UHFFFAOYSA-N
MW338.45 g/mol
LogP3.72
Rot. Bonds5

About 1-[5-[5-(4-aminobutan-2-yl)-2-methoxyphenyl]-2,3-dihydroindol-1-yl]ethanone

1-[5-[5-(4-aminobutan-2-yl)-2-methoxyphenyl]-2,3-dihydroindol-1-yl]ethanone (PubChem CID 110447602) has the molecular formula C21H26N2O2 and a molecular weight of 338.45 g/mol. Its IUPAC name is 1-[5-[5-(4-aminobutan-2-yl)-2-methoxyphenyl]-2,3-dihydroindol-1-yl]ethanone.

Molecular Properties

Compound Name1-[5-[5-(4-aminobutan-2-yl)-2-methoxyphenyl]-2,3-dihydroindol-1-yl]ethanone
PubChem CID110447602
Molecular FormulaC21H26N2O2
Molecular Weight338.45 g/mol
Exact Mass338.20
IUPAC Name1-[5-[5-(4-aminobutan-2-yl)-2-methoxyphenyl]-2,3-dihydroindol-1-yl]ethanone
SMILESCOc1ccc(C(C)CCN)cc1-c1ccc2c(c1)CCN2C(C)=O
InChIInChI=1S/C21H26N2O2/c1-14(8-10-22)16-5-7-21(25-3)19(13-16)17-4-6-20-18(12-17)9-11-23(20)15(2)24/h4-7,12-14H,8-11,22H2,1-3H3
InChIKeyMXEORPMWBZWBDR-UHFFFAOYSA-N
XLogP3.72
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.45
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[5-[5-(4-aminobutan-2-yl)-2-fluorophenyl]-2,3-dihydroindol-1-yl]ethanone
CID 110447601
1-[3-(1-acetyl-2,3-dihydroindol-5-yl)-4,5-dimethoxyphenyl]ethanone
CID 110447754
1-[6-[5-[[(3R,4R)-3-fluoro-4-hydroxypyrrolidin-1-yl]methyl]-2-methoxyphenyl]-3,4-dihydro-2H-quinolin-1-yl]ethanone
CID 165423064
1-acetyl-N-(3-fluoro-4-methoxyphenyl)-N-propan-2-yl-2,3-dihydroindole-5-carboxamide
CID 60621064
1-acetyl-N-(3-aminobutyl)-2,3-dihydroindole-5-sulfonamide
CID 63253957
1-acetyl-N-(4-aminobutyl)-2,3-dihydroindole-5-sulfonamide;hydrochloride
CID 120583725
1-acetyl-N-[(1S)-1-(2,5-dimethoxyphenyl)ethyl]-2,3-dihydroindole-5-sulfonamide
CID 26545548
3-[4-methoxy-3-(3-nitrophenyl)phenyl]butan-1-amine
CID 82542490
2-amino-1-(5-methoxy-2,3-dihydroindol-1-yl)ethanone;hydrochloride
CID 119310079
1-[4-(1-acetyl-2,3-dihydroindol-5-yl)phenyl]propan-2-one
CID 82540699
1-[5-(2-amino-4-methylpentyl)-2,3-dihydroindol-1-yl]ethanone
CID 82255283
N-[4-(1-acetyl-2,3-dihydroindol-5-yl)-3,4-dihydroxybutyl]acetamide
CID 171883884

Frequently Asked Questions

What is the IUPAC name of 1-[5-[5-(4-aminobutan-2-yl)-2-methoxyphenyl]-2,3-dihydroindol-1-yl]ethanone?
The IUPAC name of 1-[5-[5-(4-aminobutan-2-yl)-2-methoxyphenyl]-2,3-dihydroindol-1-yl]ethanone (CID 110447602) is 1-[5-[5-(4-aminobutan-2-yl)-2-methoxyphenyl]-2,3-dihydroindol-1-yl]ethanone.
What is the SMILES notation for 1-[5-[5-(4-aminobutan-2-yl)-2-methoxyphenyl]-2,3-dihydroindol-1-yl]ethanone?
The canonical SMILES for 1-[5-[5-(4-aminobutan-2-yl)-2-methoxyphenyl]-2,3-dihydroindol-1-yl]ethanone is COc1ccc(C(C)CCN)cc1-c1ccc2c(c1)CCN2C(C)=O.
What is the InChIKey of 1-[5-[5-(4-aminobutan-2-yl)-2-methoxyphenyl]-2,3-dihydroindol-1-yl]ethanone?
The InChIKey is MXEORPMWBZWBDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N2O2/c1-14(8-10-22)16-5-7-21(25-3)19(13-16)17-4-6-20-18(12-17)9-11-23(20)15(2)24/h4-7,12-14H,8-11,22H2,1-3H3.
What are the key properties of 1-[5-[5-(4-aminobutan-2-yl)-2-methoxyphenyl]-2,3-dihydroindol-1-yl]ethanone?
1-[5-[5-(4-aminobutan-2-yl)-2-methoxyphenyl]-2,3-dihydroindol-1-yl]ethanone has a molecular weight of 338.45 g/mol, XLogP of 3.72, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-[5-(4-aminobutan-2-yl)-2-methoxyphenyl]-2,3-dihydroindol-1-yl]ethanone is sourced from PubChem (CID 110447602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).