N-(1-acetyl-2,3-dihydroindol-5-yl)-4-prop-2-enoxybenzamide

C20H20N2O3 — CID 39628262

IUPACN-(1-acetyl-2,3-dihydroindol-5-yl)-4-prop-2-enoxybenzamide
SMILESC=CCOc1ccc(C(=O)Nc2ccc3c(c2)CCN3C(C)=O)cc1
InChIInChI=1S/C20H20N2O3/c1-3-12-25-18-7-4-15(5-8-18)20(24)21-17-6-9-19-16(13-17)10-11-22(19)14(2)23/h3-9,13H,1,10-12H2,2H3,(H,21,24)
InChIKeyXXXNAZMPQKCASF-UHFFFAOYSA-N
MW336.39 g/mol
LogP3.41
Rot. Bonds5

About N-(1-acetyl-2,3-dihydroindol-5-yl)-4-prop-2-enoxybenzamide

N-(1-acetyl-2,3-dihydroindol-5-yl)-4-prop-2-enoxybenzamide (PubChem CID 39628262) has the molecular formula C20H20N2O3 and a molecular weight of 336.39 g/mol. Its IUPAC name is N-(1-acetyl-2,3-dihydroindol-5-yl)-4-prop-2-enoxybenzamide.

Molecular Properties

Compound NameN-(1-acetyl-2,3-dihydroindol-5-yl)-4-prop-2-enoxybenzamide
PubChem CID39628262
Molecular FormulaC20H20N2O3
Molecular Weight336.39 g/mol
Exact Mass336.15
IUPAC NameN-(1-acetyl-2,3-dihydroindol-5-yl)-4-prop-2-enoxybenzamide
SMILESC=CCOc1ccc(C(=O)Nc2ccc3c(c2)CCN3C(C)=O)cc1
InChIInChI=1S/C20H20N2O3/c1-3-12-25-18-7-4-15(5-8-18)20(24)21-17-6-9-19-16(13-17)10-11-22(19)14(2)23/h3-9,13H,1,10-12H2,2H3,(H,21,24)
InChIKeyXXXNAZMPQKCASF-UHFFFAOYSA-N
XLogP3.41
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.39
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

N-(1-acetyl-2,3-dihydroindol-5-yl)-4-butoxybenzamide
CID 42423988
N-(1-acetyl-2,3-dihydroindol-5-yl)-4-(methylsulfamoyl)benzamide
CID 51219427
N-(1-acetyl-3,4-dihydro-2H-quinolin-6-yl)-4-(hydroxymethyl)benzamide
CID 155952648
N-(1-acetyl-2,3-dihydroindol-5-yl)-2-[4-(4-fluorobenzoyl)phenoxy]acetamide
CID 18206710
N-(3,4-dimethylphenyl)-4-prop-2-enoxybenzamide
CID 4778952
N-(1-acetyl-2,3-dihydroindol-5-yl)-3-(4-methoxyphenoxy)propanamide
CID 24637691
N-(1-acetyl-3,4-dihydro-2H-quinolin-6-yl)-3,5-dimethoxybenzamide
CID 7656241
1-acetyl-N-(3,5-dimethoxyphenyl)-2,3-dihydroindole-5-carboxamide
CID 51265763
N-(1-acetyl-2,3-dihydroindol-5-yl)-4-(1,1-dioxo-1,2-thiazolidin-2-yl)benzamide
CID 18132632
4-methyl-N-(4-prop-2-enoxyphenyl)benzamide
CID 4952484
N-(1-acetyl-2,3-dihydroindol-5-yl)-2,4-dimethylbenzamide
CID 42424076
N-(1-acetyl-2,3-dihydroindol-5-yl)-2-bromoacetamide
CID 63679851

Frequently Asked Questions

What is the IUPAC name of N-(1-acetyl-2,3-dihydroindol-5-yl)-4-prop-2-enoxybenzamide?
The IUPAC name of N-(1-acetyl-2,3-dihydroindol-5-yl)-4-prop-2-enoxybenzamide (CID 39628262) is N-(1-acetyl-2,3-dihydroindol-5-yl)-4-prop-2-enoxybenzamide.
What is the SMILES notation for N-(1-acetyl-2,3-dihydroindol-5-yl)-4-prop-2-enoxybenzamide?
The canonical SMILES for N-(1-acetyl-2,3-dihydroindol-5-yl)-4-prop-2-enoxybenzamide is C=CCOc1ccc(C(=O)Nc2ccc3c(c2)CCN3C(C)=O)cc1.
What is the InChIKey of N-(1-acetyl-2,3-dihydroindol-5-yl)-4-prop-2-enoxybenzamide?
The InChIKey is XXXNAZMPQKCASF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N2O3/c1-3-12-25-18-7-4-15(5-8-18)20(24)21-17-6-9-19-16(13-17)10-11-22(19)14(2)23/h3-9,13H,1,10-12H2,2H3,(H,21,24).
What are the key properties of N-(1-acetyl-2,3-dihydroindol-5-yl)-4-prop-2-enoxybenzamide?
N-(1-acetyl-2,3-dihydroindol-5-yl)-4-prop-2-enoxybenzamide has a molecular weight of 336.39 g/mol, XLogP of 3.41, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-acetyl-2,3-dihydroindol-5-yl)-4-prop-2-enoxybenzamide is sourced from PubChem (CID 39628262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).