N-(1-acetyl-2,3-dihydroindol-5-yl)-3-(4-methoxyphenoxy)propanamide

C20H22N2O4 — CID 24637691

IUPACN-(1-acetyl-2,3-dihydroindol-5-yl)-3-(4-methoxyphenoxy)propanamide
SMILESCOc1ccc(OCCC(=O)Nc2ccc3c(c2)CCN3C(C)=O)cc1
InChIInChI=1S/C20H22N2O4/c1-14(23)22-11-9-15-13-16(3-8-19(15)22)21-20(24)10-12-26-18-6-4-17(25-2)5-7-18/h3-8,13H,9-12H2,1-2H3,(H,21,24)
InChIKeyBTHRALLDDSVQPH-UHFFFAOYSA-N
MW354.41 g/mol
LogP3.01
Rot. Bonds6

About N-(1-acetyl-2,3-dihydroindol-5-yl)-3-(4-methoxyphenoxy)propanamide

N-(1-acetyl-2,3-dihydroindol-5-yl)-3-(4-methoxyphenoxy)propanamide (PubChem CID 24637691) has the molecular formula C20H22N2O4 and a molecular weight of 354.41 g/mol. Its IUPAC name is N-(1-acetyl-2,3-dihydroindol-5-yl)-3-(4-methoxyphenoxy)propanamide.

Molecular Properties

Compound NameN-(1-acetyl-2,3-dihydroindol-5-yl)-3-(4-methoxyphenoxy)propanamide
PubChem CID24637691
Molecular FormulaC20H22N2O4
Molecular Weight354.41 g/mol
Exact Mass354.16
IUPAC NameN-(1-acetyl-2,3-dihydroindol-5-yl)-3-(4-methoxyphenoxy)propanamide
SMILESCOc1ccc(OCCC(=O)Nc2ccc3c(c2)CCN3C(C)=O)cc1
InChIInChI=1S/C20H22N2O4/c1-14(23)22-11-9-15-13-16(3-8-19(15)22)21-20(24)10-12-26-18-6-4-17(25-2)5-7-18/h3-8,13H,9-12H2,1-2H3,(H,21,24)
InChIKeyBTHRALLDDSVQPH-UHFFFAOYSA-N
XLogP3.01
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.41
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(1-acetyl-2,3-dihydroindol-5-yl)-3-(2,5-dimethoxyphenyl)propanamide
CID 38073244
N-(1-acetyl-2,3-dihydroindol-5-yl)-4-butoxybenzamide
CID 42423988
N-(2,3-dihydro-1H-inden-5-yl)-3-(4-methoxyphenoxy)propanamide
CID 24637635
N-(1-acetyl-2,3-dihydroindol-5-yl)pentanamide
CID 39952141
N-(1-acetyl-2,3-dihydroindol-5-yl)-2-(2-methoxyethoxy)acetamide
CID 103606736
N-(1-acetyl-2,3-dihydroindol-5-yl)-2-bromoacetamide
CID 63679851
N-(1-acetyl-2,3-dihydroindol-5-yl)-4-aminobutanamide;hydrochloride
CID 119271758
N-(1-acetyl-2,3-dihydroindol-5-yl)-3-phenylpropanamide
CID 42424044
N-(1-acetyl-2,3-dihydroindol-5-yl)-2-[4-(4-fluorobenzoyl)phenoxy]acetamide
CID 18206710
N-(1-acetyl-3,4-dihydro-2H-quinolin-6-yl)-2-(4-methylphenoxy)acetamide
CID 7656394
N-[1-(2-methylpropanoyl)-2,3-dihydroindol-5-yl]-4-phenoxybutanamide
CID 110358439
3-[(1-acetyl-2,3-dihydroindol-5-yl)sulfonyl]-N-(4-methoxyphenyl)butanamide
CID 20914857

Frequently Asked Questions

What is the IUPAC name of N-(1-acetyl-2,3-dihydroindol-5-yl)-3-(4-methoxyphenoxy)propanamide?
The IUPAC name of N-(1-acetyl-2,3-dihydroindol-5-yl)-3-(4-methoxyphenoxy)propanamide (CID 24637691) is N-(1-acetyl-2,3-dihydroindol-5-yl)-3-(4-methoxyphenoxy)propanamide.
What is the SMILES notation for N-(1-acetyl-2,3-dihydroindol-5-yl)-3-(4-methoxyphenoxy)propanamide?
The canonical SMILES for N-(1-acetyl-2,3-dihydroindol-5-yl)-3-(4-methoxyphenoxy)propanamide is COc1ccc(OCCC(=O)Nc2ccc3c(c2)CCN3C(C)=O)cc1.
What is the InChIKey of N-(1-acetyl-2,3-dihydroindol-5-yl)-3-(4-methoxyphenoxy)propanamide?
The InChIKey is BTHRALLDDSVQPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N2O4/c1-14(23)22-11-9-15-13-16(3-8-19(15)22)21-20(24)10-12-26-18-6-4-17(25-2)5-7-18/h3-8,13H,9-12H2,1-2H3,(H,21,24).
What are the key properties of N-(1-acetyl-2,3-dihydroindol-5-yl)-3-(4-methoxyphenoxy)propanamide?
N-(1-acetyl-2,3-dihydroindol-5-yl)-3-(4-methoxyphenoxy)propanamide has a molecular weight of 354.41 g/mol, XLogP of 3.01, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-acetyl-2,3-dihydroindol-5-yl)-3-(4-methoxyphenoxy)propanamide is sourced from PubChem (CID 24637691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).