N-(1-acetyl-2,3-dihydroindol-7-yl)-3-(4-methoxyphenyl)propanamide

C20H22N2O3 — CID 112537172

IUPACN-(1-acetyl-2,3-dihydroindol-7-yl)-3-(4-methoxyphenyl)propanamide
SMILESCOc1ccc(CCC(=O)Nc2cccc3c2N(C(C)=O)CC3)cc1
InChIInChI=1S/C20H22N2O3/c1-14(23)22-13-12-16-4-3-5-18(20(16)22)21-19(24)11-8-15-6-9-17(25-2)10-7-15/h3-7,9-10H,8,11-13H2,1-2H3,(H,21,24)
InChIKeyYFTOOCJXHFUHMP-UHFFFAOYSA-N
MW338.41 g/mol
LogP3.18
Rot. Bonds5

About N-(1-acetyl-2,3-dihydroindol-7-yl)-3-(4-methoxyphenyl)propanamide

N-(1-acetyl-2,3-dihydroindol-7-yl)-3-(4-methoxyphenyl)propanamide (PubChem CID 112537172) has the molecular formula C20H22N2O3 and a molecular weight of 338.41 g/mol. Its IUPAC name is N-(1-acetyl-2,3-dihydroindol-7-yl)-3-(4-methoxyphenyl)propanamide.

Molecular Properties

Compound NameN-(1-acetyl-2,3-dihydroindol-7-yl)-3-(4-methoxyphenyl)propanamide
PubChem CID112537172
Molecular FormulaC20H22N2O3
Molecular Weight338.41 g/mol
Exact Mass338.16
IUPAC NameN-(1-acetyl-2,3-dihydroindol-7-yl)-3-(4-methoxyphenyl)propanamide
SMILESCOc1ccc(CCC(=O)Nc2cccc3c2N(C(C)=O)CC3)cc1
InChIInChI=1S/C20H22N2O3/c1-14(23)22-13-12-16-4-3-5-18(20(16)22)21-19(24)11-8-15-6-9-17(25-2)10-7-15/h3-7,9-10H,8,11-13H2,1-2H3,(H,21,24)
InChIKeyYFTOOCJXHFUHMP-UHFFFAOYSA-N
XLogP3.18
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.41
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(1-acetyl-2,3-dihydroindol-7-yl)-3-(4-ethoxyphenyl)propanamide
CID 112537173
N-(1-acetyl-2,3-dihydroindol-7-yl)-3-pyridin-4-ylpropanamide
CID 112537187
N-(1-acetyl-2,3-dihydroindol-7-yl)-2-(3-methoxyphenyl)acetamide
CID 112537141
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-morpholin-4-ylpropanamide
CID 112537116
N-(1-acetyl-2,3-dihydroindol-7-yl)-2-(2-methylphenyl)acetamide
CID 112537144
N-(1-acetyl-2,3-dihydroindol-7-yl)-2-methylpropanamide
CID 112537152
3-(4-methoxyphenyl)-N-[2-(2,2,2-trifluoroethylamino)phenyl]propanamide
CID 47829673
N-(3-acetamidophenyl)-3-(4-methoxyphenyl)propanamide
CID 2671013
3-(4-methoxyphenyl)-N-[2-(4-methyl-1,4-diazepane-1-carbonyl)phenyl]propanamide
CID 60562474
N-(9,10-dioxoanthracen-1-yl)-3-(4-methoxyphenyl)propanamide
CID 3318461
N-(4-methoxy-2-methylphenyl)-3-(4-methoxyphenyl)propanamide
CID 17173046

Frequently Asked Questions

What is the IUPAC name of N-(1-acetyl-2,3-dihydroindol-7-yl)-3-(4-methoxyphenyl)propanamide?
The IUPAC name of N-(1-acetyl-2,3-dihydroindol-7-yl)-3-(4-methoxyphenyl)propanamide (CID 112537172) is N-(1-acetyl-2,3-dihydroindol-7-yl)-3-(4-methoxyphenyl)propanamide.
What is the SMILES notation for N-(1-acetyl-2,3-dihydroindol-7-yl)-3-(4-methoxyphenyl)propanamide?
The canonical SMILES for N-(1-acetyl-2,3-dihydroindol-7-yl)-3-(4-methoxyphenyl)propanamide is COc1ccc(CCC(=O)Nc2cccc3c2N(C(C)=O)CC3)cc1.
What is the InChIKey of N-(1-acetyl-2,3-dihydroindol-7-yl)-3-(4-methoxyphenyl)propanamide?
The InChIKey is YFTOOCJXHFUHMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N2O3/c1-14(23)22-13-12-16-4-3-5-18(20(16)22)21-19(24)11-8-15-6-9-17(25-2)10-7-15/h3-7,9-10H,8,11-13H2,1-2H3,(H,21,24).
What are the key properties of N-(1-acetyl-2,3-dihydroindol-7-yl)-3-(4-methoxyphenyl)propanamide?
N-(1-acetyl-2,3-dihydroindol-7-yl)-3-(4-methoxyphenyl)propanamide has a molecular weight of 338.41 g/mol, XLogP of 3.18, 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-7-yl)-3-(4-methoxyphenyl)propanamide is sourced from PubChem (CID 112537172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).