N-(1-acetyl-2,3-dihydroindol-7-yl)-2-methylpropanamide

C14H18N2O2 — CID 112537152

IUPACN-(1-acetyl-2,3-dihydroindol-7-yl)-2-methylpropanamide
SMILESCC(=O)N1CCc2cccc(NC(=O)C(C)C)c21
InChIInChI=1S/C14H18N2O2/c1-9(2)14(18)15-12-6-4-5-11-7-8-16(10(3)17)13(11)12/h4-6,9H,7-8H2,1-3H3,(H,15,18)
InChIKeyKBWNAMVOPFCGSD-UHFFFAOYSA-N
MW246.31 g/mol
LogP2.19
Rot. Bonds2

About N-(1-acetyl-2,3-dihydroindol-7-yl)-2-methylpropanamide

N-(1-acetyl-2,3-dihydroindol-7-yl)-2-methylpropanamide (PubChem CID 112537152) has the molecular formula C14H18N2O2 and a molecular weight of 246.31 g/mol. Its IUPAC name is N-(1-acetyl-2,3-dihydroindol-7-yl)-2-methylpropanamide.

Molecular Properties

Compound NameN-(1-acetyl-2,3-dihydroindol-7-yl)-2-methylpropanamide
PubChem CID112537152
Molecular FormulaC14H18N2O2
Molecular Weight246.31 g/mol
Exact Mass246.14
IUPAC NameN-(1-acetyl-2,3-dihydroindol-7-yl)-2-methylpropanamide
SMILESCC(=O)N1CCc2cccc(NC(=O)C(C)C)c21
InChIInChI=1S/C14H18N2O2/c1-9(2)14(18)15-12-6-4-5-11-7-8-16(10(3)17)13(11)12/h4-6,9H,7-8H2,1-3H3,(H,15,18)
InChIKeyKBWNAMVOPFCGSD-UHFFFAOYSA-N
XLogP2.19
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.31
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(1-acetyl-2,3-dihydroindol-7-yl)-2-(2-methylphenyl)acetamide
CID 112537144
1-(1-acetyl-2,3-dihydroindol-7-yl)-3-(2,4-difluorophenyl)urea
CID 3415037
N-(1-acetyl-2,3-dihydroindol-7-yl)-4-bromobenzamide
CID 112537123
1-(7-ethyl-2,3-dihydroindol-1-yl)ethanone
CID 101108036
N-(1-acetyl-2,3-dihydroindol-7-yl)-2-(3-methoxyphenyl)acetamide
CID 112537141
N-(1-acetyl-2,3-dihydroindol-7-yl)-2-methyl-1,3-thiazole-4-carboxamide
CID 166234118
N-(1-acetyl-2,3-dihydroindol-7-yl)-3-pyridin-4-ylpropanamide
CID 112537187
N-(1-acetyl-2,3-dihydroindol-7-yl)-3-morpholin-4-ylpropanamide
CID 112537116
N-[1-(3-methylbenzoyl)-2,3-dihydroindol-7-yl]acetamide
CID 112537232
N-(1-acetyl-2,3-dihydroindol-7-yl)-3-(4-methoxyphenyl)propanamide
CID 112537172
N-(1-acetyl-2,3-dihydroindol-7-yl)-3-(1,3-benzodioxol-5-yl)propanamide
CID 112537184
N-(1-acetyl-2,3-dihydroindol-7-yl)-3-(4-ethoxyphenyl)propanamide
CID 112537173

Frequently Asked Questions

What is the IUPAC name of N-(1-acetyl-2,3-dihydroindol-7-yl)-2-methylpropanamide?
The IUPAC name of N-(1-acetyl-2,3-dihydroindol-7-yl)-2-methylpropanamide (CID 112537152) is N-(1-acetyl-2,3-dihydroindol-7-yl)-2-methylpropanamide.
What is the SMILES notation for N-(1-acetyl-2,3-dihydroindol-7-yl)-2-methylpropanamide?
The canonical SMILES for N-(1-acetyl-2,3-dihydroindol-7-yl)-2-methylpropanamide is CC(=O)N1CCc2cccc(NC(=O)C(C)C)c21.
What is the InChIKey of N-(1-acetyl-2,3-dihydroindol-7-yl)-2-methylpropanamide?
The InChIKey is KBWNAMVOPFCGSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O2/c1-9(2)14(18)15-12-6-4-5-11-7-8-16(10(3)17)13(11)12/h4-6,9H,7-8H2,1-3H3,(H,15,18).
What are the key properties of N-(1-acetyl-2,3-dihydroindol-7-yl)-2-methylpropanamide?
N-(1-acetyl-2,3-dihydroindol-7-yl)-2-methylpropanamide has a molecular weight of 246.31 g/mol, XLogP of 2.19, 2 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-7-yl)-2-methylpropanamide is sourced from PubChem (CID 112537152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).