(2S)-2-N-methyl-1-N-(2-phenylethyl)-2,3-dihydroindole-1,2-dicarboxamide

C19H21N3O2 — CID 41232413

IUPAC(2S)-2-N-methyl-1-N-(2-phenylethyl)-2,3-dihydroindole-1,2-dicarboxamide
SMILESCNC(=O)[C@@H]1Cc2ccccc2N1C(=O)NCCc1ccccc1
InChIInChI=1S/C19H21N3O2/c1-20-18(23)17-13-15-9-5-6-10-16(15)22(17)19(24)21-12-11-14-7-3-2-4-8-14/h2-10,17H,11-13H2,1H3,(H,20,23)(H,21,24)/t17-/m0/s1
InChIKeyXURIUINSNBOQDN-KRWDZBQOSA-N
MW323.40 g/mol
LogP2.12
Rot. Bonds4

About (2S)-2-N-methyl-1-N-(2-phenylethyl)-2,3-dihydroindole-1,2-dicarboxamide

(2S)-2-N-methyl-1-N-(2-phenylethyl)-2,3-dihydroindole-1,2-dicarboxamide (PubChem CID 41232413) has the molecular formula C19H21N3O2 and a molecular weight of 323.40 g/mol. Its IUPAC name is (2S)-2-N-methyl-1-N-(2-phenylethyl)-2,3-dihydroindole-1,2-dicarboxamide.

Molecular Properties

Compound Name(2S)-2-N-methyl-1-N-(2-phenylethyl)-2,3-dihydroindole-1,2-dicarboxamide
PubChem CID41232413
Molecular FormulaC19H21N3O2
Molecular Weight323.40 g/mol
Exact Mass323.16
IUPAC Name(2S)-2-N-methyl-1-N-(2-phenylethyl)-2,3-dihydroindole-1,2-dicarboxamide
SMILESCNC(=O)[C@@H]1Cc2ccccc2N1C(=O)NCCc1ccccc1
InChIInChI=1S/C19H21N3O2/c1-20-18(23)17-13-15-9-5-6-10-16(15)22(17)19(24)21-12-11-14-7-3-2-4-8-14/h2-10,17H,11-13H2,1H3,(H,20,23)(H,21,24)/t17-/m0/s1
InChIKeyXURIUINSNBOQDN-KRWDZBQOSA-N
XLogP2.12
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.40
LogP ≤ 52.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(2R)-1-acetyl-N-methyl-2,3-dihydroindole-2-carboxamide
CID 40805370
(2S)-1-(cyclopropanecarbonyl)-N-methyl-2,3-dihydroindole-2-carboxamide
CID 51474982
1-(cyclopropanecarbonyl)-N-methyl-2,3-dihydroindole-2-carboxamide
CID 18587960
N-[2-(4-fluorophenyl)ethyl]-2-methyl-2,3-dihydroindole-1-carboxamide
CID 108902174
(2R)-1-[3-(4-methoxyphenyl)propanoyl]-N-methyl-2,3-dihydroindole-2-carboxamide
CID 41429031
(2S)-1-N-benzyl-2,3-dihydroindole-1,2-dicarboxamide
CID 41429200
(2S)-N-[2-(3-hydroxyphenyl)ethyl]-2-methyl-2,3-dihydroindole-1-carboxamide
CID 97094963
1-acetyl-N-[2-(4-sulfamoylphenyl)ethyl]-2,3-dihydroindole-2-carboxamide
CID 20954374
1-[3-(dimethylamino)propylcarbamoyl]-2,3-dihydroindole-2-carboxylic acid
CID 61190065
1-[2-[ethyl(methyl)amino]ethylcarbamoyl]-2,3-dihydroindole-2-carboxylic acid
CID 62636188
(2S)-1-(2-ethoxyethylcarbamoyl)-2,3-dihydroindole-2-carboxylic acid
CID 61201079
1-(3,3,3-trifluoropropylcarbamoyl)-2,3-dihydroindole-2-carboxylic acid
CID 63227411

Frequently Asked Questions

What is the IUPAC name of (2S)-2-N-methyl-1-N-(2-phenylethyl)-2,3-dihydroindole-1,2-dicarboxamide?
The IUPAC name of (2S)-2-N-methyl-1-N-(2-phenylethyl)-2,3-dihydroindole-1,2-dicarboxamide (CID 41232413) is (2S)-2-N-methyl-1-N-(2-phenylethyl)-2,3-dihydroindole-1,2-dicarboxamide.
What is the SMILES notation for (2S)-2-N-methyl-1-N-(2-phenylethyl)-2,3-dihydroindole-1,2-dicarboxamide?
The canonical SMILES for (2S)-2-N-methyl-1-N-(2-phenylethyl)-2,3-dihydroindole-1,2-dicarboxamide is CNC(=O)[C@@H]1Cc2ccccc2N1C(=O)NCCc1ccccc1.
What is the InChIKey of (2S)-2-N-methyl-1-N-(2-phenylethyl)-2,3-dihydroindole-1,2-dicarboxamide?
The InChIKey is XURIUINSNBOQDN-KRWDZBQOSA-N. The full InChI is InChI=1S/C19H21N3O2/c1-20-18(23)17-13-15-9-5-6-10-16(15)22(17)19(24)21-12-11-14-7-3-2-4-8-14/h2-10,17H,11-13H2,1H3,(H,20,23)(H,21,24)/t17-/m0/s1.
What are the key properties of (2S)-2-N-methyl-1-N-(2-phenylethyl)-2,3-dihydroindole-1,2-dicarboxamide?
(2S)-2-N-methyl-1-N-(2-phenylethyl)-2,3-dihydroindole-1,2-dicarboxamide has a molecular weight of 323.40 g/mol, XLogP of 2.12, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-N-methyl-1-N-(2-phenylethyl)-2,3-dihydroindole-1,2-dicarboxamide is sourced from PubChem (CID 41232413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).