2-(cyclopropylamino)-1-(5-methoxy-1,2-dimethylindol-3-yl)ethanone

C16H20N2O2 — CID 96679476

IUPAC2-(cyclopropylamino)-1-(5-methoxy-1,2-dimethylindol-3-yl)ethanone
SMILESCOc1ccc2c(c1)c(C(=O)CNC1CC1)c(C)n2C
InChIInChI=1S/C16H20N2O2/c1-10-16(15(19)9-17-11-4-5-11)13-8-12(20-3)6-7-14(13)18(10)2/h6-8,11,17H,4-5,9H2,1-3H3
InChIKeyOFSFNLDSMGNDIQ-UHFFFAOYSA-N
MW272.35 g/mol
LogP2.43
Rot. Bonds5

About 2-(cyclopropylamino)-1-(5-methoxy-1,2-dimethylindol-3-yl)ethanone

2-(cyclopropylamino)-1-(5-methoxy-1,2-dimethylindol-3-yl)ethanone (PubChem CID 96679476) has the molecular formula C16H20N2O2 and a molecular weight of 272.35 g/mol. Its IUPAC name is 2-(cyclopropylamino)-1-(5-methoxy-1,2-dimethylindol-3-yl)ethanone.

Molecular Properties

Compound Name2-(cyclopropylamino)-1-(5-methoxy-1,2-dimethylindol-3-yl)ethanone
PubChem CID96679476
Molecular FormulaC16H20N2O2
Molecular Weight272.35 g/mol
Exact Mass272.15
IUPAC Name2-(cyclopropylamino)-1-(5-methoxy-1,2-dimethylindol-3-yl)ethanone
SMILESCOc1ccc2c(c1)c(C(=O)CNC1CC1)c(C)n2C
InChIInChI=1S/C16H20N2O2/c1-10-16(15(19)9-17-11-4-5-11)13-8-12(20-3)6-7-14(13)18(10)2/h6-8,11,17H,4-5,9H2,1-3H3
InChIKeyOFSFNLDSMGNDIQ-UHFFFAOYSA-N
XLogP2.43
TPSA43.26 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.35
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(cyclopropylamino)-1-(5-ethyl-1,2-dimethylindol-3-yl)ethanone
CID 96678992
1-(5-methoxy-1,2-dimethylindol-3-yl)-2-[2-(5-methoxy-1,2-dimethylindol-3-yl)-2-oxoethyl]sulfanylethanone
CID 3429472
3-amino-1-(5-methoxy-1,2-dimethylindol-3-yl)propan-1-one
CID 82118498
[2-(5-methoxy-1,2-dimethylindol-3-yl)-2-oxoethyl]-dimethylazanium
CID 3714981
2-[(4,5-dimethyl-1,3-thiazol-2-yl)amino]-1-(5-methoxy-1,2-dimethylindol-3-yl)ethanone
CID 718268
2-[(2R)-2-ethylpiperidin-1-yl]-1-(5-methoxy-1,2-dimethylindol-3-yl)ethanone
CID 916245
1-[2-(5-methoxy-1,2-dimethylindol-3-yl)-2-oxoethyl]piperidin-1-ium-4-one
CID 7370847
3-methoxy-1-[2-(5-methoxy-1,2-dimethylindol-3-yl)-2-oxoethyl]-2-methylpyridin-4-one
CID 91638253
N-[(3R,4R)-4-hydroxyoxan-3-yl]-5-methoxy-1,2-dimethylindole-3-carboxamide
CID 91791830
methyl 3-[(5-methoxy-1,2-dimethylindole-3-carbonyl)amino]cyclohexene-1-carboxylate
CID 118669142
[4-(1-hydroxycyclopropyl)piperidin-1-yl]-(5-methoxy-1,2-dimethylindol-3-yl)methanone
CID 138386675
1-(5-methoxy-1,2-dimethylindol-3-yl)-2-[[(1S,8S)-8,11,11-trimethyl-3,4,6-triazatricyclo[6.2.1.02,7]undeca-2(7),3,5-trien-5-yl]sulfanyl]ethanone
CID 98114868

Frequently Asked Questions

What is the IUPAC name of 2-(cyclopropylamino)-1-(5-methoxy-1,2-dimethylindol-3-yl)ethanone?
The IUPAC name of 2-(cyclopropylamino)-1-(5-methoxy-1,2-dimethylindol-3-yl)ethanone (CID 96679476) is 2-(cyclopropylamino)-1-(5-methoxy-1,2-dimethylindol-3-yl)ethanone.
What is the SMILES notation for 2-(cyclopropylamino)-1-(5-methoxy-1,2-dimethylindol-3-yl)ethanone?
The canonical SMILES for 2-(cyclopropylamino)-1-(5-methoxy-1,2-dimethylindol-3-yl)ethanone is COc1ccc2c(c1)c(C(=O)CNC1CC1)c(C)n2C.
What is the InChIKey of 2-(cyclopropylamino)-1-(5-methoxy-1,2-dimethylindol-3-yl)ethanone?
The InChIKey is OFSFNLDSMGNDIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O2/c1-10-16(15(19)9-17-11-4-5-11)13-8-12(20-3)6-7-14(13)18(10)2/h6-8,11,17H,4-5,9H2,1-3H3.
What are the key properties of 2-(cyclopropylamino)-1-(5-methoxy-1,2-dimethylindol-3-yl)ethanone?
2-(cyclopropylamino)-1-(5-methoxy-1,2-dimethylindol-3-yl)ethanone has a molecular weight of 272.35 g/mol, XLogP of 2.43, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclopropylamino)-1-(5-methoxy-1,2-dimethylindol-3-yl)ethanone is sourced from PubChem (CID 96679476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).