N-(1-acetyl-2,3-dihydroindol-5-yl)-2-methylbutanamide

C15H20N2O2 — CID 24684877

IUPACN-(1-acetyl-2,3-dihydroindol-5-yl)-2-methylbutanamide
SMILESCCC(C)C(=O)Nc1ccc2c(c1)CCN2C(C)=O
InChIInChI=1S/C15H20N2O2/c1-4-10(2)15(19)16-13-5-6-14-12(9-13)7-8-17(14)11(3)18/h5-6,9-10H,4,7-8H2,1-3H3,(H,16,19)
InChIKeyBWRCXSDKOYZNKY-UHFFFAOYSA-N
MW260.34 g/mol
LogP2.58
Rot. Bonds3

About N-(1-acetyl-2,3-dihydroindol-5-yl)-2-methylbutanamide

N-(1-acetyl-2,3-dihydroindol-5-yl)-2-methylbutanamide (PubChem CID 24684877) has the molecular formula C15H20N2O2 and a molecular weight of 260.34 g/mol. Its IUPAC name is N-(1-acetyl-2,3-dihydroindol-5-yl)-2-methylbutanamide.

Molecular Properties

Compound NameN-(1-acetyl-2,3-dihydroindol-5-yl)-2-methylbutanamide
PubChem CID24684877
Molecular FormulaC15H20N2O2
Molecular Weight260.34 g/mol
Exact Mass260.15
IUPAC NameN-(1-acetyl-2,3-dihydroindol-5-yl)-2-methylbutanamide
SMILESCCC(C)C(=O)Nc1ccc2c(c1)CCN2C(C)=O
InChIInChI=1S/C15H20N2O2/c1-4-10(2)15(19)16-13-5-6-14-12(9-13)7-8-17(14)11(3)18/h5-6,9-10H,4,7-8H2,1-3H3,(H,16,19)
InChIKeyBWRCXSDKOYZNKY-UHFFFAOYSA-N
XLogP2.58
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.34
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(1-acetyl-2,3-dihydroindol-5-yl)-2-amino-3-methylpentanamide;hydrochloride
CID 119690438
(2R)-N-(1-acetyl-2,3-dihydroindol-5-yl)-2-aminopropanamide;hydrochloride
CID 119271750
N-(1-acetyl-2,3-dihydroindol-5-yl)-2-bromo-3-methylbutanamide
CID 43346617
(2S)-N-(1-acetyl-2,3-dihydroindol-5-yl)-2-aminopentanamide
CID 107568450
1-[5-(2-methylbutylamino)-2,3-dihydroindol-1-yl]ethanone
CID 43684598
1-[5-(3-methylpentan-2-ylamino)-2,3-dihydroindol-1-yl]ethanone
CID 43684593
2-[(1-acetyl-2,3-dihydroindol-5-yl)amino]butanoic acid
CID 115352545
N-(1-acetyl-2,3-dihydroindol-5-yl)-2-bromoacetamide
CID 63679851
N-(1-acetyl-2,3-dihydroindol-5-yl)-3-amino-2-methyl-3-phenylpropanamide;hydrochloride
CID 119690415
N-(1-acetyl-2,3-dihydroindol-5-yl)pentanamide
CID 39952141
(2S)-2-[(1-acetyl-2,3-dihydroindol-5-yl)amino]-N-(3,4-difluorophenyl)propanamide
CID 25360343
1-(1-acetyl-2,3-dihydroindol-5-yl)-3-(4-methylphenyl)urea
CID 17485020

Frequently Asked Questions

What is the IUPAC name of N-(1-acetyl-2,3-dihydroindol-5-yl)-2-methylbutanamide?
The IUPAC name of N-(1-acetyl-2,3-dihydroindol-5-yl)-2-methylbutanamide (CID 24684877) is N-(1-acetyl-2,3-dihydroindol-5-yl)-2-methylbutanamide.
What is the SMILES notation for N-(1-acetyl-2,3-dihydroindol-5-yl)-2-methylbutanamide?
The canonical SMILES for N-(1-acetyl-2,3-dihydroindol-5-yl)-2-methylbutanamide is CCC(C)C(=O)Nc1ccc2c(c1)CCN2C(C)=O.
What is the InChIKey of N-(1-acetyl-2,3-dihydroindol-5-yl)-2-methylbutanamide?
The InChIKey is BWRCXSDKOYZNKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O2/c1-4-10(2)15(19)16-13-5-6-14-12(9-13)7-8-17(14)11(3)18/h5-6,9-10H,4,7-8H2,1-3H3,(H,16,19).
What are the key properties of N-(1-acetyl-2,3-dihydroindol-5-yl)-2-methylbutanamide?
N-(1-acetyl-2,3-dihydroindol-5-yl)-2-methylbutanamide has a molecular weight of 260.34 g/mol, XLogP of 2.58, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-acetyl-2,3-dihydroindol-5-yl)-2-methylbutanamide is sourced from PubChem (CID 24684877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).