2-(2,3-dihydroindol-1-yl)-N-[(2S)-3-oxo-1-phenylbutan-2-yl]acetamide

C20H22N2O2 — CID 8704361

IUPAC2-(2,3-dihydroindol-1-yl)-N-[(2S)-3-oxo-1-phenylbutan-2-yl]acetamide
SMILESCC(=O)[C@H](Cc1ccccc1)NC(=O)CN1CCc2ccccc21
InChIInChI=1S/C20H22N2O2/c1-15(23)18(13-16-7-3-2-4-8-16)21-20(24)14-22-12-11-17-9-5-6-10-19(17)22/h2-10,18H,11-14H2,1H3,(H,21,24)/t18-/m0/s1
InChIKeyWQCGZRSPNKJRJK-SFHVURJKSA-N
MW322.41 g/mol
LogP2.37
Rot. Bonds6

About 2-(2,3-dihydroindol-1-yl)-N-[(2S)-3-oxo-1-phenylbutan-2-yl]acetamide

2-(2,3-dihydroindol-1-yl)-N-[(2S)-3-oxo-1-phenylbutan-2-yl]acetamide (PubChem CID 8704361) has the molecular formula C20H22N2O2 and a molecular weight of 322.41 g/mol. Its IUPAC name is 2-(2,3-dihydroindol-1-yl)-N-[(2S)-3-oxo-1-phenylbutan-2-yl]acetamide.

Molecular Properties

Compound Name2-(2,3-dihydroindol-1-yl)-N-[(2S)-3-oxo-1-phenylbutan-2-yl]acetamide
PubChem CID8704361
Molecular FormulaC20H22N2O2
Molecular Weight322.41 g/mol
Exact Mass322.17
IUPAC Name2-(2,3-dihydroindol-1-yl)-N-[(2S)-3-oxo-1-phenylbutan-2-yl]acetamide
SMILESCC(=O)[C@H](Cc1ccccc1)NC(=O)CN1CCc2ccccc21
InChIInChI=1S/C20H22N2O2/c1-15(23)18(13-16-7-3-2-4-8-16)21-20(24)14-22-12-11-17-9-5-6-10-19(17)22/h2-10,18H,11-14H2,1H3,(H,21,24)/t18-/m0/s1
InChIKeyWQCGZRSPNKJRJK-SFHVURJKSA-N
XLogP2.37
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.41
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)-N-[(2S)-3-oxo-1-phenylbutan-2-yl]acetamide
CID 8593487
2-[[2-(2,3-dihydroindol-1-yl)acetyl]amino]propanoic acid
CID 82041853
2-[[2-(2,3-dihydroindol-1-yl)acetyl]amino]-4-methoxybutanoic acid
CID 120702039
2-[(2S)-2-methyl-2,3-dihydroindol-1-yl]-N-[(2S)-3-oxo-1-phenylbutan-2-yl]acetamide
CID 8686068
2-(azepan-1-yl)-N-(3-oxo-1-phenylbutan-2-yl)acetamide
CID 18269301
2-(azocan-1-yl)-N-[(2S)-3-oxo-1-phenylbutan-2-yl]acetamide
CID 2496918
2-(4-benzylpiperazin-1-yl)-N-[(2R)-3-oxo-1-phenylbutan-2-yl]acetamide
CID 7809338
2-(6,8-difluoro-3,4-dihydro-2H-quinolin-1-yl)-N-[(2S)-3-oxo-1-phenylbutan-2-yl]acetamide
CID 34009418
2-(4-methylpiperidin-1-yl)-N-[(2S)-3-oxo-1-phenylbutan-2-yl]acetamide
CID 8543566
2-(2,3-dihydroindol-1-yl)-N-phenylacetamide
CID 22199878
N-[2-(2,3-dihydroindol-1-yl)ethyl]-2-methyl-3-phenylpropanamide
CID 110353132
N-[3-[[2-(2,3-dihydroindol-1-yl)acetyl]amino]phenyl]-3-phenylpropanamide
CID 54810873

Frequently Asked Questions

What is the IUPAC name of 2-(2,3-dihydroindol-1-yl)-N-[(2S)-3-oxo-1-phenylbutan-2-yl]acetamide?
The IUPAC name of 2-(2,3-dihydroindol-1-yl)-N-[(2S)-3-oxo-1-phenylbutan-2-yl]acetamide (CID 8704361) is 2-(2,3-dihydroindol-1-yl)-N-[(2S)-3-oxo-1-phenylbutan-2-yl]acetamide.
What is the SMILES notation for 2-(2,3-dihydroindol-1-yl)-N-[(2S)-3-oxo-1-phenylbutan-2-yl]acetamide?
The canonical SMILES for 2-(2,3-dihydroindol-1-yl)-N-[(2S)-3-oxo-1-phenylbutan-2-yl]acetamide is CC(=O)[C@H](Cc1ccccc1)NC(=O)CN1CCc2ccccc21.
What is the InChIKey of 2-(2,3-dihydroindol-1-yl)-N-[(2S)-3-oxo-1-phenylbutan-2-yl]acetamide?
The InChIKey is WQCGZRSPNKJRJK-SFHVURJKSA-N. The full InChI is InChI=1S/C20H22N2O2/c1-15(23)18(13-16-7-3-2-4-8-16)21-20(24)14-22-12-11-17-9-5-6-10-19(17)22/h2-10,18H,11-14H2,1H3,(H,21,24)/t18-/m0/s1.
What are the key properties of 2-(2,3-dihydroindol-1-yl)-N-[(2S)-3-oxo-1-phenylbutan-2-yl]acetamide?
2-(2,3-dihydroindol-1-yl)-N-[(2S)-3-oxo-1-phenylbutan-2-yl]acetamide has a molecular weight of 322.41 g/mol, XLogP of 2.37, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3-dihydroindol-1-yl)-N-[(2S)-3-oxo-1-phenylbutan-2-yl]acetamide is sourced from PubChem (CID 8704361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).