3-hydroxy-N-(2-oxo-1,3-dihydroindol-5-yl)-3-phenylbutanamide

C18H18N2O3 — CID 110025383

IUPAC3-hydroxy-N-(2-oxo-1,3-dihydroindol-5-yl)-3-phenylbutanamide
SMILESCC(O)(CC(=O)Nc1ccc2c(c1)CC(=O)N2)c1ccccc1
InChIInChI=1S/C18H18N2O3/c1-18(23,13-5-3-2-4-6-13)11-17(22)19-14-7-8-15-12(9-14)10-16(21)20-15/h2-9,23H,10-11H2,1H3,(H,19,22)(H,20,21)
InChIKeyIGQKWSXDNKVTHC-UHFFFAOYSA-N
MW310.35 g/mol
LogP2.42
Rot. Bonds4

About 3-hydroxy-N-(2-oxo-1,3-dihydroindol-5-yl)-3-phenylbutanamide

3-hydroxy-N-(2-oxo-1,3-dihydroindol-5-yl)-3-phenylbutanamide (PubChem CID 110025383) has the molecular formula C18H18N2O3 and a molecular weight of 310.35 g/mol. Its IUPAC name is 3-hydroxy-N-(2-oxo-1,3-dihydroindol-5-yl)-3-phenylbutanamide.

Molecular Properties

Compound Name3-hydroxy-N-(2-oxo-1,3-dihydroindol-5-yl)-3-phenylbutanamide
PubChem CID110025383
Molecular FormulaC18H18N2O3
Molecular Weight310.35 g/mol
Exact Mass310.13
IUPAC Name3-hydroxy-N-(2-oxo-1,3-dihydroindol-5-yl)-3-phenylbutanamide
SMILESCC(O)(CC(=O)Nc1ccc2c(c1)CC(=O)N2)c1ccccc1
InChIInChI=1S/C18H18N2O3/c1-18(23,13-5-3-2-4-6-13)11-17(22)19-14-7-8-15-12(9-14)10-16(21)20-15/h2-9,23H,10-11H2,1H3,(H,19,22)(H,20,21)
InChIKeyIGQKWSXDNKVTHC-UHFFFAOYSA-N
XLogP2.42
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.35
LogP ≤ 52.42
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2,2-dimethyl-3-oxo-3-[(2-oxo-1,3-dihydroindol-5-yl)amino]propanoic acid
CID 115163929
2-(2-fluorophenyl)-N-(2-oxo-1,3-dihydroindol-5-yl)acetamide
CID 110777106
4-amino-N-(2-oxo-1,3-dihydroindol-5-yl)pentanamide
CID 115156546
4-amino-N-(2-oxo-1,3-dihydroindol-5-yl)butanamide
CID 22690108
3-cyclopentyl-N-(2-oxo-1,3-dihydroindol-5-yl)propanamide
CID 18570800
5-[(3-hydroxy-2,2-dimethylpropyl)amino]-1,3-dihydroindol-2-one
CID 115135114
7-amino-N-(2-oxo-1,3-dihydroindol-5-yl)heptanamide
CID 119709201
2-cyano-2-methyl-N-(2-oxo-1,3-dihydroindol-5-yl)propanamide
CID 115174931
1-benzhydryl-3-(2-oxo-1,3-dihydroindol-5-yl)urea
CID 30375491
2-[methyl(naphthalen-2-ylsulfonyl)amino]-N-(2-oxo-1,3-dihydroindol-5-yl)acetamide
CID 166205942
3-(3-fluorophenyl)-N-(2-oxo-1,3-dihydroindol-5-yl)propanamide
CID 110777102
(2R)-2-amino-N-(2-oxo-1,3-dihydroindol-5-yl)propanamide
CID 119281522

Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-N-(2-oxo-1,3-dihydroindol-5-yl)-3-phenylbutanamide?
The IUPAC name of 3-hydroxy-N-(2-oxo-1,3-dihydroindol-5-yl)-3-phenylbutanamide (CID 110025383) is 3-hydroxy-N-(2-oxo-1,3-dihydroindol-5-yl)-3-phenylbutanamide.
What is the SMILES notation for 3-hydroxy-N-(2-oxo-1,3-dihydroindol-5-yl)-3-phenylbutanamide?
The canonical SMILES for 3-hydroxy-N-(2-oxo-1,3-dihydroindol-5-yl)-3-phenylbutanamide is CC(O)(CC(=O)Nc1ccc2c(c1)CC(=O)N2)c1ccccc1.
What is the InChIKey of 3-hydroxy-N-(2-oxo-1,3-dihydroindol-5-yl)-3-phenylbutanamide?
The InChIKey is IGQKWSXDNKVTHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N2O3/c1-18(23,13-5-3-2-4-6-13)11-17(22)19-14-7-8-15-12(9-14)10-16(21)20-15/h2-9,23H,10-11H2,1H3,(H,19,22)(H,20,21).
What are the key properties of 3-hydroxy-N-(2-oxo-1,3-dihydroindol-5-yl)-3-phenylbutanamide?
3-hydroxy-N-(2-oxo-1,3-dihydroindol-5-yl)-3-phenylbutanamide has a molecular weight of 310.35 g/mol, XLogP of 2.42, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-N-(2-oxo-1,3-dihydroindol-5-yl)-3-phenylbutanamide is sourced from PubChem (CID 110025383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).