(2R)-1-[3-(4-methoxyphenyl)propanoyl]-N-methyl-2,3-dihydroindole-2-carboxamide

C20H22N2O3 — CID 41429031

IUPAC(2R)-1-[3-(4-methoxyphenyl)propanoyl]-N-methyl-2,3-dihydroindole-2-carboxamide
SMILESCNC(=O)[C@H]1Cc2ccccc2N1C(=O)CCc1ccc(OC)cc1
InChIInChI=1S/C20H22N2O3/c1-21-20(24)18-13-15-5-3-4-6-17(15)22(18)19(23)12-9-14-7-10-16(25-2)11-8-14/h3-8,10-11,18H,9,12-13H2,1-2H3,(H,21,24)/t18-/m1/s1
InChIKeyXXKWILJAQQQEQT-GOSISDBHSA-N
MW338.41 g/mol
LogP2.33
Rot. Bonds5

About (2R)-1-[3-(4-methoxyphenyl)propanoyl]-N-methyl-2,3-dihydroindole-2-carboxamide

(2R)-1-[3-(4-methoxyphenyl)propanoyl]-N-methyl-2,3-dihydroindole-2-carboxamide (PubChem CID 41429031) has the molecular formula C20H22N2O3 and a molecular weight of 338.41 g/mol. Its IUPAC name is (2R)-1-[3-(4-methoxyphenyl)propanoyl]-N-methyl-2,3-dihydroindole-2-carboxamide.

Molecular Properties

Compound Name(2R)-1-[3-(4-methoxyphenyl)propanoyl]-N-methyl-2,3-dihydroindole-2-carboxamide
PubChem CID41429031
Molecular FormulaC20H22N2O3
Molecular Weight338.41 g/mol
Exact Mass338.16
IUPAC Name(2R)-1-[3-(4-methoxyphenyl)propanoyl]-N-methyl-2,3-dihydroindole-2-carboxamide
SMILESCNC(=O)[C@H]1Cc2ccccc2N1C(=O)CCc1ccc(OC)cc1
InChIInChI=1S/C20H22N2O3/c1-21-20(24)18-13-15-5-3-4-6-17(15)22(18)19(23)12-9-14-7-10-16(25-2)11-8-14/h3-8,10-11,18H,9,12-13H2,1-2H3,(H,21,24)/t18-/m1/s1
InChIKeyXXKWILJAQQQEQT-GOSISDBHSA-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

(2S)-1-[2-(4-ethoxyphenyl)acetyl]-N-methyl-2,3-dihydroindole-2-carboxamide
CID 41428965
(2R)-N-methyl-1-(2-naphthalen-2-yloxyacetyl)-2,3-dihydroindole-2-carboxamide
CID 41428946
(2R)-1-[2-(4-ethoxyphenoxy)acetyl]-N-methyl-2,3-dihydroindole-2-carboxamide
CID 41428952
1-(4,6-dimethoxypyrimidine-2-carbonyl)-N-methyl-2,3-dihydroindole-2-carboxamide
CID 138051195
(2R)-1-acetyl-N-methyl-2,3-dihydroindole-2-carboxamide
CID 40805370
(2S)-2-N-methyl-1-N-(2-phenylethyl)-2,3-dihydroindole-1,2-dicarboxamide
CID 41232413
1-[4-(1,3-dioxoisoindol-2-yl)butanoyl]-N-methyl-2,3-dihydroindole-2-carboxamide
CID 18587991
N-[2-(4-methoxyphenyl)ethyl]-3-(2-methyl-2,3-dihydroindol-1-yl)-3-oxopropanamide
CID 108948863
1-(cyclopropanecarbonyl)-N-methyl-2,3-dihydroindole-2-carboxamide
CID 18587960
(2S)-1-(cyclopropanecarbonyl)-N-methyl-2,3-dihydroindole-2-carboxamide
CID 51474982
N-methyl-1-(3-spiro[1,2-dihydroindene-3,4'-piperidine]-1'-ylpropanoyl)-2,3-dihydroindole-2-carboxamide
CID 10180240
3-(4-chlorophenyl)-1-[(2R)-2-methyl-2,3-dihydroindol-1-yl]propan-1-one
CID 100589425

Frequently Asked Questions

What is the IUPAC name of (2R)-1-[3-(4-methoxyphenyl)propanoyl]-N-methyl-2,3-dihydroindole-2-carboxamide?
The IUPAC name of (2R)-1-[3-(4-methoxyphenyl)propanoyl]-N-methyl-2,3-dihydroindole-2-carboxamide (CID 41429031) is (2R)-1-[3-(4-methoxyphenyl)propanoyl]-N-methyl-2,3-dihydroindole-2-carboxamide.
What is the SMILES notation for (2R)-1-[3-(4-methoxyphenyl)propanoyl]-N-methyl-2,3-dihydroindole-2-carboxamide?
The canonical SMILES for (2R)-1-[3-(4-methoxyphenyl)propanoyl]-N-methyl-2,3-dihydroindole-2-carboxamide is CNC(=O)[C@H]1Cc2ccccc2N1C(=O)CCc1ccc(OC)cc1.
What is the InChIKey of (2R)-1-[3-(4-methoxyphenyl)propanoyl]-N-methyl-2,3-dihydroindole-2-carboxamide?
The InChIKey is XXKWILJAQQQEQT-GOSISDBHSA-N. The full InChI is InChI=1S/C20H22N2O3/c1-21-20(24)18-13-15-5-3-4-6-17(15)22(18)19(23)12-9-14-7-10-16(25-2)11-8-14/h3-8,10-11,18H,9,12-13H2,1-2H3,(H,21,24)/t18-/m1/s1.
What are the key properties of (2R)-1-[3-(4-methoxyphenyl)propanoyl]-N-methyl-2,3-dihydroindole-2-carboxamide?
(2R)-1-[3-(4-methoxyphenyl)propanoyl]-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 (2R)-1-[3-(4-methoxyphenyl)propanoyl]-N-methyl-2,3-dihydroindole-2-carboxamide is sourced from PubChem (CID 41429031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).