N-[3-(2-methyl-2,3-dihydroindol-1-yl)-3-oxopropyl]-N-(4-propan-2-yloxyphenyl)acetamide

C23H28N2O3 — CID 113129931

IUPACN-[3-(2-methyl-2,3-dihydroindol-1-yl)-3-oxopropyl]-N-(4-propan-2-yloxyphenyl)acetamide
SMILESCC(=O)N(CCC(=O)N1c2ccccc2CC1C)c1ccc(OC(C)C)cc1
InChIInChI=1S/C23H28N2O3/c1-16(2)28-21-11-9-20(10-12-21)24(18(4)26)14-13-23(27)25-17(3)15-19-7-5-6-8-22(19)25/h5-12,16-17H,13-15H2,1-4H3
InChIKeyCNOIJFHTTXLHTJ-UHFFFAOYSA-N
MW380.49 g/mol
LogP4.19
Rot. Bonds6

About N-[3-(2-methyl-2,3-dihydroindol-1-yl)-3-oxopropyl]-N-(4-propan-2-yloxyphenyl)acetamide

N-[3-(2-methyl-2,3-dihydroindol-1-yl)-3-oxopropyl]-N-(4-propan-2-yloxyphenyl)acetamide (PubChem CID 113129931) has the molecular formula C23H28N2O3 and a molecular weight of 380.49 g/mol. Its IUPAC name is N-[3-(2-methyl-2,3-dihydroindol-1-yl)-3-oxopropyl]-N-(4-propan-2-yloxyphenyl)acetamide.

Molecular Properties

Compound NameN-[3-(2-methyl-2,3-dihydroindol-1-yl)-3-oxopropyl]-N-(4-propan-2-yloxyphenyl)acetamide
PubChem CID113129931
Molecular FormulaC23H28N2O3
Molecular Weight380.49 g/mol
Exact Mass380.21
IUPAC NameN-[3-(2-methyl-2,3-dihydroindol-1-yl)-3-oxopropyl]-N-(4-propan-2-yloxyphenyl)acetamide
SMILESCC(=O)N(CCC(=O)N1c2ccccc2CC1C)c1ccc(OC(C)C)cc1
InChIInChI=1S/C23H28N2O3/c1-16(2)28-21-11-9-20(10-12-21)24(18(4)26)14-13-23(27)25-17(3)15-19-7-5-6-8-22(19)25/h5-12,16-17H,13-15H2,1-4H3
InChIKeyCNOIJFHTTXLHTJ-UHFFFAOYSA-N
XLogP4.19
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.49
LogP ≤ 54.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-[4-(dimethylamino)phenyl]-N-[3-(2-methyl-2,3-dihydroindol-1-yl)-3-oxopropyl]acetamide
CID 113131813
1-(2-methyl-2,3-dihydroindol-1-yl)-3-(4-propan-2-yloxyanilino)propan-1-one
CID 109040290
N-(3-chloro-4-methylphenyl)-N-[3-(2-methyl-2,3-dihydroindol-1-yl)-3-oxopropyl]acetamide
CID 113128090
N-[3-(2-methyl-2,3-dihydroindol-1-yl)-3-oxopropyl]-N-(2-methylpropyl)acetamide
CID 113116087
N-(2-methoxyethyl)-N-[3-(2-methyl-2,3-dihydroindol-1-yl)-3-oxopropyl]acetamide
CID 113117047
N-[2-(2-fluorophenyl)ethyl]-N-[3-(2-methyl-2,3-dihydroindol-1-yl)-3-oxopropyl]acetamide
CID 113121038
N-[3-(2-methyl-2,3-dihydroindol-1-yl)-3-oxopropyl]-N-(pyridin-2-ylmethyl)acetamide
CID 113120320
N-(4-methoxyphenyl)-N-[4-[(2S)-2-methyl-2,3-dihydroindol-1-yl]-4-oxobutyl]methanesulfonamide
CID 100548871
N-[2-(2-methyl-2,3-dihydroindol-1-yl)-2-oxoethyl]-N-(2-methylpropyl)acetamide
CID 113158988
3-methoxy-1-(2-methyl-2,3-dihydroindol-1-yl)propan-1-one
CID 110838977
N-[2-(2-methyl-2,3-dihydroindol-1-yl)-2-oxoethyl]-N-(3-methylphenyl)acetamide
CID 113167631
N-(4-ethylphenyl)-N-[3-(2-methyl-2,3-dihydroindol-1-yl)-3-oxopropyl]methanesulfonamide
CID 113142877

Frequently Asked Questions

What is the IUPAC name of N-[3-(2-methyl-2,3-dihydroindol-1-yl)-3-oxopropyl]-N-(4-propan-2-yloxyphenyl)acetamide?
The IUPAC name of N-[3-(2-methyl-2,3-dihydroindol-1-yl)-3-oxopropyl]-N-(4-propan-2-yloxyphenyl)acetamide (CID 113129931) is N-[3-(2-methyl-2,3-dihydroindol-1-yl)-3-oxopropyl]-N-(4-propan-2-yloxyphenyl)acetamide.
What is the SMILES notation for N-[3-(2-methyl-2,3-dihydroindol-1-yl)-3-oxopropyl]-N-(4-propan-2-yloxyphenyl)acetamide?
The canonical SMILES for N-[3-(2-methyl-2,3-dihydroindol-1-yl)-3-oxopropyl]-N-(4-propan-2-yloxyphenyl)acetamide is CC(=O)N(CCC(=O)N1c2ccccc2CC1C)c1ccc(OC(C)C)cc1.
What is the InChIKey of N-[3-(2-methyl-2,3-dihydroindol-1-yl)-3-oxopropyl]-N-(4-propan-2-yloxyphenyl)acetamide?
The InChIKey is CNOIJFHTTXLHTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N2O3/c1-16(2)28-21-11-9-20(10-12-21)24(18(4)26)14-13-23(27)25-17(3)15-19-7-5-6-8-22(19)25/h5-12,16-17H,13-15H2,1-4H3.
What are the key properties of N-[3-(2-methyl-2,3-dihydroindol-1-yl)-3-oxopropyl]-N-(4-propan-2-yloxyphenyl)acetamide?
N-[3-(2-methyl-2,3-dihydroindol-1-yl)-3-oxopropyl]-N-(4-propan-2-yloxyphenyl)acetamide has a molecular weight of 380.49 g/mol, XLogP of 4.19, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(2-methyl-2,3-dihydroindol-1-yl)-3-oxopropyl]-N-(4-propan-2-yloxyphenyl)acetamide is sourced from PubChem (CID 113129931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).