1-[5-(3-methylpentan-2-ylamino)-2,3-dihydroindol-1-yl]ethanone

C16H24N2O — CID 43684593

IUPAC1-[5-(3-methylpentan-2-ylamino)-2,3-dihydroindol-1-yl]ethanone
SMILESCCC(C)C(C)Nc1ccc2c(c1)CCN2C(C)=O
InChIInChI=1S/C16H24N2O/c1-5-11(2)12(3)17-15-6-7-16-14(10-15)8-9-18(16)13(4)19/h6-7,10-12,17H,5,8-9H2,1-4H3
InChIKeyYRRMDZHLRHOBOS-UHFFFAOYSA-N
MW260.38 g/mol
LogP3.44
Rot. Bonds4

About 1-[5-(3-methylpentan-2-ylamino)-2,3-dihydroindol-1-yl]ethanone

1-[5-(3-methylpentan-2-ylamino)-2,3-dihydroindol-1-yl]ethanone (PubChem CID 43684593) has the molecular formula C16H24N2O and a molecular weight of 260.38 g/mol. Its IUPAC name is 1-[5-(3-methylpentan-2-ylamino)-2,3-dihydroindol-1-yl]ethanone.

Molecular Properties

Compound Name1-[5-(3-methylpentan-2-ylamino)-2,3-dihydroindol-1-yl]ethanone
PubChem CID43684593
Molecular FormulaC16H24N2O
Molecular Weight260.38 g/mol
Exact Mass260.19
IUPAC Name1-[5-(3-methylpentan-2-ylamino)-2,3-dihydroindol-1-yl]ethanone
SMILESCCC(C)C(C)Nc1ccc2c(c1)CCN2C(C)=O
InChIInChI=1S/C16H24N2O/c1-5-11(2)12(3)17-15-6-7-16-14(10-15)8-9-18(16)13(4)19/h6-7,10-12,17H,5,8-9H2,1-4H3
InChIKeyYRRMDZHLRHOBOS-UHFFFAOYSA-N
XLogP3.44
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.38
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[(1-acetyl-2,3-dihydroindol-5-yl)amino]butanoic acid
CID 115352545
N-(1-acetyl-2,3-dihydroindol-5-yl)-2-methylbutanamide
CID 24684877
N-(1-acetyl-2,3-dihydroindol-5-yl)-2-amino-3-methylpentanamide;hydrochloride
CID 119690438
1-[5-(2-methylbutylamino)-2,3-dihydroindol-1-yl]ethanone
CID 43684598
1-[5-(2,2-diethoxyethylamino)-2,3-dihydroindol-1-yl]ethanone
CID 54285326
1-[5-(1-thiophen-3-ylethylamino)-2,3-dihydroindol-1-yl]ethanone
CID 62089817
1-[5-[[(1R)-1-(3-propyl-1,2,4-oxadiazol-5-yl)ethyl]amino]-2,3-dihydroindol-1-yl]ethanone
CID 34275282
1-[5-[1-(3-propyl-1,2,4-oxadiazol-5-yl)ethylamino]-2,3-dihydroindol-1-yl]ethanone
CID 51078421
(2R)-N-(1-acetyl-2,3-dihydroindol-5-yl)-2-aminopropanamide;hydrochloride
CID 119271750
(2S)-2-[(1-acetyl-2,3-dihydroindol-5-yl)amino]-N-(3,5-dichlorophenyl)propanamide
CID 25359317
(2R)-2-[(1-acetyl-2,3-dihydroindol-5-yl)amino]-N-[(4-methylphenyl)methyl]propanamide
CID 25360569
N-(1-acetyl-2,3-dihydroindol-5-yl)-2-bromoacetamide
CID 63679851

Frequently Asked Questions

What is the IUPAC name of 1-[5-(3-methylpentan-2-ylamino)-2,3-dihydroindol-1-yl]ethanone?
The IUPAC name of 1-[5-(3-methylpentan-2-ylamino)-2,3-dihydroindol-1-yl]ethanone (CID 43684593) is 1-[5-(3-methylpentan-2-ylamino)-2,3-dihydroindol-1-yl]ethanone.
What is the SMILES notation for 1-[5-(3-methylpentan-2-ylamino)-2,3-dihydroindol-1-yl]ethanone?
The canonical SMILES for 1-[5-(3-methylpentan-2-ylamino)-2,3-dihydroindol-1-yl]ethanone is CCC(C)C(C)Nc1ccc2c(c1)CCN2C(C)=O.
What is the InChIKey of 1-[5-(3-methylpentan-2-ylamino)-2,3-dihydroindol-1-yl]ethanone?
The InChIKey is YRRMDZHLRHOBOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O/c1-5-11(2)12(3)17-15-6-7-16-14(10-15)8-9-18(16)13(4)19/h6-7,10-12,17H,5,8-9H2,1-4H3.
What are the key properties of 1-[5-(3-methylpentan-2-ylamino)-2,3-dihydroindol-1-yl]ethanone?
1-[5-(3-methylpentan-2-ylamino)-2,3-dihydroindol-1-yl]ethanone has a molecular weight of 260.38 g/mol, XLogP of 3.44, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(3-methylpentan-2-ylamino)-2,3-dihydroindol-1-yl]ethanone is sourced from PubChem (CID 43684593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).