(1S)-N-[2-(2,3-dihydroindol-1-yl)ethyl]-3-oxo-1,2-dihydroindene-1-carboxamide

C20H20N2O2 — CID 95217368

IUPAC(1S)-N-[2-(2,3-dihydroindol-1-yl)ethyl]-3-oxo-1,2-dihydroindene-1-carboxamide
SMILESO=C1C[C@H](C(=O)NCCN2CCc3ccccc32)c2ccccc21
InChIInChI=1S/C20H20N2O2/c23-19-13-17(15-6-2-3-7-16(15)19)20(24)21-10-12-22-11-9-14-5-1-4-8-18(14)22/h1-8,17H,9-13H2,(H,21,24)/t17-/m0/s1
InChIKeyZRJVMSJEMSDKRV-KRWDZBQOSA-N
MW320.39 g/mol
LogP2.54
Rot. Bonds4

About (1S)-N-[2-(2,3-dihydroindol-1-yl)ethyl]-3-oxo-1,2-dihydroindene-1-carboxamide

(1S)-N-[2-(2,3-dihydroindol-1-yl)ethyl]-3-oxo-1,2-dihydroindene-1-carboxamide (PubChem CID 95217368) has the molecular formula C20H20N2O2 and a molecular weight of 320.39 g/mol. Its IUPAC name is (1S)-N-[2-(2,3-dihydroindol-1-yl)ethyl]-3-oxo-1,2-dihydroindene-1-carboxamide.

Molecular Properties

Compound Name(1S)-N-[2-(2,3-dihydroindol-1-yl)ethyl]-3-oxo-1,2-dihydroindene-1-carboxamide
PubChem CID95217368
Molecular FormulaC20H20N2O2
Molecular Weight320.39 g/mol
Exact Mass320.15
IUPAC Name(1S)-N-[2-(2,3-dihydroindol-1-yl)ethyl]-3-oxo-1,2-dihydroindene-1-carboxamide
SMILESO=C1C[C@H](C(=O)NCCN2CCc3ccccc32)c2ccccc21
InChIInChI=1S/C20H20N2O2/c23-19-13-17(15-6-2-3-7-16(15)19)20(24)21-10-12-22-11-9-14-5-1-4-8-18(14)22/h1-8,17H,9-13H2,(H,21,24)/t17-/m0/s1
InChIKeyZRJVMSJEMSDKRV-KRWDZBQOSA-N
XLogP2.54
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.39
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(4S)-N-[2-(2,3-dihydroindol-1-yl)ethyl]-6-methoxy-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide
CID 97127436
(3S)-N-[2-(2,3-dihydroindol-1-yl)ethyl]-2-methyl-3,4-dihydro-1H-isoquinoline-3-carboxamide
CID 97191213
N-[2-(2,3-dihydroindol-1-yl)ethyl]piperidine-4-carboxamide
CID 155615979
N-[2-(2,3-dihydroindol-1-yl)ethyl]-5-oxo-1-phenylpyrrolidine-3-carboxamide
CID 110620154
cis-(1S,3R)-3-[2-(2,3-dihydroindol-1-yl)ethylcarbamoyl]cyclopentane-1-carboxylic acid
CID 133134060
N-[2-(2,3-dihydroindol-1-yl)ethyl]-4-(1,3-dioxoisoindol-2-yl)butanamide
CID 112502054
N-[3-(2,3-dihydroindol-1-yl)propyl]-3,4-dihydro-1H-isochromene-1-carboxamide
CID 102560490
(1S,3S,8R)-N-[2-(2,3-dihydroindol-1-yl)ethyl]-3-phenyl-2,3,5,6,7,8-hexahydro-1H-pyrrolizine-1-carboxamide
CID 118761914
N-[2-(2,3-dihydroindol-1-yl)ethyl]-1-(2,2,2-trifluoroacetyl)pyrrolidine-2-carboxamide
CID 112502055
N-[2-(2,3-dihydroindol-1-yl)ethyl]-1-[(4-fluorophenyl)methyl]piperidine-4-carboxamide
CID 46963818
(3R)-N-[[4-[2-(2,3-dihydroindol-1-yl)ethylcarbamoyl]cyclohexyl]methyl]oxolane-3-carboxamide
CID 51504785
N-[2-(2,3-dihydroindol-1-yl)ethyl]-2-methyl-3-phenylpropanamide
CID 110353132

Frequently Asked Questions

What is the IUPAC name of (1S)-N-[2-(2,3-dihydroindol-1-yl)ethyl]-3-oxo-1,2-dihydroindene-1-carboxamide?
The IUPAC name of (1S)-N-[2-(2,3-dihydroindol-1-yl)ethyl]-3-oxo-1,2-dihydroindene-1-carboxamide (CID 95217368) is (1S)-N-[2-(2,3-dihydroindol-1-yl)ethyl]-3-oxo-1,2-dihydroindene-1-carboxamide.
What is the SMILES notation for (1S)-N-[2-(2,3-dihydroindol-1-yl)ethyl]-3-oxo-1,2-dihydroindene-1-carboxamide?
The canonical SMILES for (1S)-N-[2-(2,3-dihydroindol-1-yl)ethyl]-3-oxo-1,2-dihydroindene-1-carboxamide is O=C1C[C@H](C(=O)NCCN2CCc3ccccc32)c2ccccc21.
What is the InChIKey of (1S)-N-[2-(2,3-dihydroindol-1-yl)ethyl]-3-oxo-1,2-dihydroindene-1-carboxamide?
The InChIKey is ZRJVMSJEMSDKRV-KRWDZBQOSA-N. The full InChI is InChI=1S/C20H20N2O2/c23-19-13-17(15-6-2-3-7-16(15)19)20(24)21-10-12-22-11-9-14-5-1-4-8-18(14)22/h1-8,17H,9-13H2,(H,21,24)/t17-/m0/s1.
What are the key properties of (1S)-N-[2-(2,3-dihydroindol-1-yl)ethyl]-3-oxo-1,2-dihydroindene-1-carboxamide?
(1S)-N-[2-(2,3-dihydroindol-1-yl)ethyl]-3-oxo-1,2-dihydroindene-1-carboxamide has a molecular weight of 320.39 g/mol, XLogP of 2.54, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-N-[2-(2,3-dihydroindol-1-yl)ethyl]-3-oxo-1,2-dihydroindene-1-carboxamide is sourced from PubChem (CID 95217368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).