(2S)-1-[2-(4-ethoxyphenyl)acetyl]-N-methyl-2,3-dihydroindole-2-carboxamide

C20H22N2O3 — CID 41428965

IUPAC(2S)-1-[2-(4-ethoxyphenyl)acetyl]-N-methyl-2,3-dihydroindole-2-carboxamide
SMILESCCOc1ccc(CC(=O)N2c3ccccc3C[C@H]2C(=O)NC)cc1
InChIInChI=1S/C20H22N2O3/c1-3-25-16-10-8-14(9-11-16)12-19(23)22-17-7-5-4-6-15(17)13-18(22)20(24)21-2/h4-11,18H,3,12-13H2,1-2H3,(H,21,24)/t18-/m0/s1
InChIKeyHZVVCHNAXQRECT-SFHVURJKSA-N
MW338.41 g/mol
LogP2.33
Rot. Bonds5

About (2S)-1-[2-(4-ethoxyphenyl)acetyl]-N-methyl-2,3-dihydroindole-2-carboxamide

(2S)-1-[2-(4-ethoxyphenyl)acetyl]-N-methyl-2,3-dihydroindole-2-carboxamide (PubChem CID 41428965) has the molecular formula C20H22N2O3 and a molecular weight of 338.41 g/mol. Its IUPAC name is (2S)-1-[2-(4-ethoxyphenyl)acetyl]-N-methyl-2,3-dihydroindole-2-carboxamide.

Molecular Properties

Compound Name(2S)-1-[2-(4-ethoxyphenyl)acetyl]-N-methyl-2,3-dihydroindole-2-carboxamide
PubChem CID41428965
Molecular FormulaC20H22N2O3
Molecular Weight338.41 g/mol
Exact Mass338.16
IUPAC Name(2S)-1-[2-(4-ethoxyphenyl)acetyl]-N-methyl-2,3-dihydroindole-2-carboxamide
SMILESCCOc1ccc(CC(=O)N2c3ccccc3C[C@H]2C(=O)NC)cc1
InChIInChI=1S/C20H22N2O3/c1-3-25-16-10-8-14(9-11-16)12-19(23)22-17-7-5-4-6-15(17)13-18(22)20(24)21-2/h4-11,18H,3,12-13H2,1-2H3,(H,21,24)/t18-/m0/s1
InChIKeyHZVVCHNAXQRECT-SFHVURJKSA-N
XLogP2.33
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 ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-1-[2-(4-ethoxyphenoxy)acetyl]-N-methyl-2,3-dihydroindole-2-carboxamide
CID 41428952
(2R)-1-[3-(4-methoxyphenyl)propanoyl]-N-methyl-2,3-dihydroindole-2-carboxamide
CID 41429031
(2R)-N-methyl-1-(2-naphthalen-2-yloxyacetyl)-2,3-dihydroindole-2-carboxamide
CID 41428946
(2R)-1-acetyl-N-methyl-2,3-dihydroindole-2-carboxamide
CID 40805370
1-(3,4,10,10a-tetrahydro-1H-pyrazino[1,2-a]indol-2-yl)-2-(4-ethoxyphenyl)ethanone
CID 110741626
N-[(4-ethoxyphenyl)methyl]-2-methyl-2,3-dihydroindole-1-carboxamide
CID 108884531
(2S)-1-(cyclopropanecarbonyl)-N-methyl-2,3-dihydroindole-2-carboxamide
CID 51474982
1-(cyclopropanecarbonyl)-N-methyl-2,3-dihydroindole-2-carboxamide
CID 18587960
N-methyl-1-(2-methylsulfonylbenzoyl)-2,3-dihydroindole-2-carboxamide
CID 18587995
1-(4,6-dimethoxypyrimidine-2-carbonyl)-N-methyl-2,3-dihydroindole-2-carboxamide
CID 138051195
(2S)-2-N-methyl-1-N-(2-phenylethyl)-2,3-dihydroindole-1,2-dicarboxamide
CID 41232413
(2S)-N-ethyl-1-(2-naphthalen-2-yloxyacetyl)-2,3-dihydroindole-2-carboxamide
CID 41429074

Frequently Asked Questions

What is the IUPAC name of (2S)-1-[2-(4-ethoxyphenyl)acetyl]-N-methyl-2,3-dihydroindole-2-carboxamide?
The IUPAC name of (2S)-1-[2-(4-ethoxyphenyl)acetyl]-N-methyl-2,3-dihydroindole-2-carboxamide (CID 41428965) is (2S)-1-[2-(4-ethoxyphenyl)acetyl]-N-methyl-2,3-dihydroindole-2-carboxamide.
What is the SMILES notation for (2S)-1-[2-(4-ethoxyphenyl)acetyl]-N-methyl-2,3-dihydroindole-2-carboxamide?
The canonical SMILES for (2S)-1-[2-(4-ethoxyphenyl)acetyl]-N-methyl-2,3-dihydroindole-2-carboxamide is CCOc1ccc(CC(=O)N2c3ccccc3C[C@H]2C(=O)NC)cc1.
What is the InChIKey of (2S)-1-[2-(4-ethoxyphenyl)acetyl]-N-methyl-2,3-dihydroindole-2-carboxamide?
The InChIKey is HZVVCHNAXQRECT-SFHVURJKSA-N. The full InChI is InChI=1S/C20H22N2O3/c1-3-25-16-10-8-14(9-11-16)12-19(23)22-17-7-5-4-6-15(17)13-18(22)20(24)21-2/h4-11,18H,3,12-13H2,1-2H3,(H,21,24)/t18-/m0/s1.
What are the key properties of (2S)-1-[2-(4-ethoxyphenyl)acetyl]-N-methyl-2,3-dihydroindole-2-carboxamide?
(2S)-1-[2-(4-ethoxyphenyl)acetyl]-N-methyl-2,3-dihydroindole-2-carboxamide has a molecular weight of 338.41 g/mol, XLogP of 2.33, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-[2-(4-ethoxyphenyl)acetyl]-N-methyl-2,3-dihydroindole-2-carboxamide is sourced from PubChem (CID 41428965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).