2-[[3-(2,3-dihydroindol-1-yl)-3-oxopropyl]-ethylamino]-N-(4-methoxyphenyl)acetamide

C22H27N3O3 — CID 18133397

IUPAC2-[[3-(2,3-dihydroindol-1-yl)-3-oxopropyl]-ethylamino]-N-(4-methoxyphenyl)acetamide
SMILESCCN(CCC(=O)N1CCc2ccccc21)CC(=O)Nc1ccc(OC)cc1
InChIInChI=1S/C22H27N3O3/c1-3-24(16-21(26)23-18-8-10-19(28-2)11-9-18)14-13-22(27)25-15-12-17-6-4-5-7-20(17)25/h4-11H,3,12-16H2,1-2H3,(H,23,26)
InChIKeyIDXKUIMODWXVAD-UHFFFAOYSA-N
MW381.48 g/mol
LogP2.93
Rot. Bonds8

About 2-[[3-(2,3-dihydroindol-1-yl)-3-oxopropyl]-ethylamino]-N-(4-methoxyphenyl)acetamide

2-[[3-(2,3-dihydroindol-1-yl)-3-oxopropyl]-ethylamino]-N-(4-methoxyphenyl)acetamide (PubChem CID 18133397) has the molecular formula C22H27N3O3 and a molecular weight of 381.48 g/mol. Its IUPAC name is 2-[[3-(2,3-dihydroindol-1-yl)-3-oxopropyl]-ethylamino]-N-(4-methoxyphenyl)acetamide.

Molecular Properties

Compound Name2-[[3-(2,3-dihydroindol-1-yl)-3-oxopropyl]-ethylamino]-N-(4-methoxyphenyl)acetamide
PubChem CID18133397
Molecular FormulaC22H27N3O3
Molecular Weight381.48 g/mol
Exact Mass381.21
IUPAC Name2-[[3-(2,3-dihydroindol-1-yl)-3-oxopropyl]-ethylamino]-N-(4-methoxyphenyl)acetamide
SMILESCCN(CCC(=O)N1CCc2ccccc21)CC(=O)Nc1ccc(OC)cc1
InChIInChI=1S/C22H27N3O3/c1-3-24(16-21(26)23-18-8-10-19(28-2)11-9-18)14-13-22(27)25-15-12-17-6-4-5-7-20(17)25/h4-11H,3,12-16H2,1-2H3,(H,23,26)
InChIKeyIDXKUIMODWXVAD-UHFFFAOYSA-N
XLogP2.93
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.48
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2,3-dihydroindol-1-yl)-N-(4-methoxyphenyl)-2-oxoacetamide
CID 108502677
2-(diethylamino)-1-(2,3-dihydroindol-1-yl)ethanone
CID 3028969
3-[ethyl-[2-(4-methoxyanilino)-2-oxoethyl]amino]-N-(2-phenylphenyl)propanamide
CID 24588963
4-(2,3-dihydroindol-1-yl)-N-(2,4-dimethoxyphenyl)-4-oxobutanamide
CID 3901633
N-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-2-(4-methoxyphenyl)acetamide
CID 110370754
3-(2,3-dihydroindol-1-yl)-N-[(4-methoxyphenyl)methyl]-3-oxopropanamide
CID 108947050
3-(2,3-dihydroindol-1-yl)-N-(4-methylphenyl)-3-oxopropanamide
CID 108953092
2-(dipropylamino)-N-(4-methoxyphenyl)acetamide
CID 54817180
1-(2,3-dihydroindol-1-yl)-3-(3-methoxyanilino)propan-1-one
CID 109034751
1,4-bis(2,3-dihydroindol-1-yl)butane-1,4-dione
CID 741114
N-[3-(2,3-dihydroindol-1-yl)-3-oxopropyl]-N-(3-methoxyphenyl)acetamide
CID 113128955
2-[ethyl-[2-(2-ethylanilino)-2-oxoethyl]amino]-N-(4-methoxyphenyl)acetamide
CID 9027158

Frequently Asked Questions

What is the IUPAC name of 2-[[3-(2,3-dihydroindol-1-yl)-3-oxopropyl]-ethylamino]-N-(4-methoxyphenyl)acetamide?
The IUPAC name of 2-[[3-(2,3-dihydroindol-1-yl)-3-oxopropyl]-ethylamino]-N-(4-methoxyphenyl)acetamide (CID 18133397) is 2-[[3-(2,3-dihydroindol-1-yl)-3-oxopropyl]-ethylamino]-N-(4-methoxyphenyl)acetamide.
What is the SMILES notation for 2-[[3-(2,3-dihydroindol-1-yl)-3-oxopropyl]-ethylamino]-N-(4-methoxyphenyl)acetamide?
The canonical SMILES for 2-[[3-(2,3-dihydroindol-1-yl)-3-oxopropyl]-ethylamino]-N-(4-methoxyphenyl)acetamide is CCN(CCC(=O)N1CCc2ccccc21)CC(=O)Nc1ccc(OC)cc1.
What is the InChIKey of 2-[[3-(2,3-dihydroindol-1-yl)-3-oxopropyl]-ethylamino]-N-(4-methoxyphenyl)acetamide?
The InChIKey is IDXKUIMODWXVAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27N3O3/c1-3-24(16-21(26)23-18-8-10-19(28-2)11-9-18)14-13-22(27)25-15-12-17-6-4-5-7-20(17)25/h4-11H,3,12-16H2,1-2H3,(H,23,26).
What are the key properties of 2-[[3-(2,3-dihydroindol-1-yl)-3-oxopropyl]-ethylamino]-N-(4-methoxyphenyl)acetamide?
2-[[3-(2,3-dihydroindol-1-yl)-3-oxopropyl]-ethylamino]-N-(4-methoxyphenyl)acetamide has a molecular weight of 381.48 g/mol, XLogP of 2.93, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[3-(2,3-dihydroindol-1-yl)-3-oxopropyl]-ethylamino]-N-(4-methoxyphenyl)acetamide is sourced from PubChem (CID 18133397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).