(2S)-N-(1-ethylindol-3-yl)-2-methyl-2,3-dihydroindole-1-carboxamide

C20H21N3O — CID 40519696

IUPAC(2S)-N-(1-ethylindol-3-yl)-2-methyl-2,3-dihydroindole-1-carboxamide
SMILESCCn1cc(NC(=O)N2c3ccccc3C[C@@H]2C)c2ccccc21
InChIInChI=1S/C20H21N3O/c1-3-22-13-17(16-9-5-7-11-19(16)22)21-20(24)23-14(2)12-15-8-4-6-10-18(15)23/h4-11,13-14H,3,12H2,1-2H3,(H,21,24)/t14-/m0/s1
InChIKeyQRXZUGSTBVEBSS-AWEZNQCLSA-N
MW319.41 g/mol
LogP4.64
Rot. Bonds2

About (2S)-N-(1-ethylindol-3-yl)-2-methyl-2,3-dihydroindole-1-carboxamide

(2S)-N-(1-ethylindol-3-yl)-2-methyl-2,3-dihydroindole-1-carboxamide (PubChem CID 40519696) has the molecular formula C20H21N3O and a molecular weight of 319.41 g/mol. Its IUPAC name is (2S)-N-(1-ethylindol-3-yl)-2-methyl-2,3-dihydroindole-1-carboxamide.

Molecular Properties

Compound Name(2S)-N-(1-ethylindol-3-yl)-2-methyl-2,3-dihydroindole-1-carboxamide
PubChem CID40519696
Molecular FormulaC20H21N3O
Molecular Weight319.41 g/mol
Exact Mass319.17
IUPAC Name(2S)-N-(1-ethylindol-3-yl)-2-methyl-2,3-dihydroindole-1-carboxamide
SMILESCCn1cc(NC(=O)N2c3ccccc3C[C@@H]2C)c2ccccc21
InChIInChI=1S/C20H21N3O/c1-3-22-13-17(16-9-5-7-11-19(16)22)21-20(24)23-14(2)12-15-8-4-6-10-18(15)23/h4-11,13-14H,3,12H2,1-2H3,(H,21,24)/t14-/m0/s1
InChIKeyQRXZUGSTBVEBSS-AWEZNQCLSA-N
XLogP4.64
TPSA37.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.41
LogP ≤ 54.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-methyl-N-(1-methylindol-3-yl)-2,3-dihydroindole-1-carboxamide
CID 18582333
N-(2-ethylphenyl)-2-methyl-2,3-dihydroindole-1-carboxamide
CID 108991479
N-(1-ethylindol-3-yl)-2,6-dimethylmorpholine-4-carboxamide
CID 18582367
N-(2-ethoxyphenyl)-2-methyl-2,3-dihydroindole-1-carboxamide
CID 108992032
N-(3-hydroxyphenyl)-2-methyl-2,3-dihydroindole-1-carboxamide
CID 108895859
2-methyl-N-(3,4,5-triethoxyphenyl)-2,3-dihydroindole-1-carboxamide
CID 108869872
1,1-diethyl-3-(1-ethylindol-3-yl)urea
CID 40519589
N-(2-chloroacetyl)-2-methyl-2,3-dihydroindole-1-carboxamide
CID 43146117
2-methyl-N-(4-propan-2-ylphenyl)-2,3-dihydroindole-1-carboxamide
CID 108991651
N-(2,6-dimethoxyphenyl)-2-methyl-2,3-dihydroindole-1-carboxamide
CID 108868023
2-methyl-N-(4-nitrophenyl)-2,3-dihydroindole-1-carboxamide
CID 2944621
2-methyl-N-(5-methyl-1,2-oxazol-3-yl)-2,3-dihydroindole-1-carboxamide
CID 42922545

Frequently Asked Questions

What is the IUPAC name of (2S)-N-(1-ethylindol-3-yl)-2-methyl-2,3-dihydroindole-1-carboxamide?
The IUPAC name of (2S)-N-(1-ethylindol-3-yl)-2-methyl-2,3-dihydroindole-1-carboxamide (CID 40519696) is (2S)-N-(1-ethylindol-3-yl)-2-methyl-2,3-dihydroindole-1-carboxamide.
What is the SMILES notation for (2S)-N-(1-ethylindol-3-yl)-2-methyl-2,3-dihydroindole-1-carboxamide?
The canonical SMILES for (2S)-N-(1-ethylindol-3-yl)-2-methyl-2,3-dihydroindole-1-carboxamide is CCn1cc(NC(=O)N2c3ccccc3C[C@@H]2C)c2ccccc21.
What is the InChIKey of (2S)-N-(1-ethylindol-3-yl)-2-methyl-2,3-dihydroindole-1-carboxamide?
The InChIKey is QRXZUGSTBVEBSS-AWEZNQCLSA-N. The full InChI is InChI=1S/C20H21N3O/c1-3-22-13-17(16-9-5-7-11-19(16)22)21-20(24)23-14(2)12-15-8-4-6-10-18(15)23/h4-11,13-14H,3,12H2,1-2H3,(H,21,24)/t14-/m0/s1.
What are the key properties of (2S)-N-(1-ethylindol-3-yl)-2-methyl-2,3-dihydroindole-1-carboxamide?
(2S)-N-(1-ethylindol-3-yl)-2-methyl-2,3-dihydroindole-1-carboxamide has a molecular weight of 319.41 g/mol, XLogP of 4.64, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-(1-ethylindol-3-yl)-2-methyl-2,3-dihydroindole-1-carboxamide is sourced from PubChem (CID 40519696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).