N-[(1S,2R)-1-hydroxy-1-(2-methylphenyl)pentan-2-yl]-2-oxo-1,3-dihydroindole-4-carboxamide

C21H24N2O3 — CID 164617047

IUPACN-[(1S,2R)-1-hydroxy-1-(2-methylphenyl)pentan-2-yl]-2-oxo-1,3-dihydroindole-4-carboxamide
SMILESCCC[C@@H](NC(=O)c1cccc2c1CC(=O)N2)[C@@H](O)c1ccccc1C
InChIInChI=1S/C21H24N2O3/c1-3-7-18(20(25)14-9-5-4-8-13(14)2)23-21(26)15-10-6-11-17-16(15)12-19(24)22-17/h4-6,8-11,18,20,25H,3,7,12H2,1-2H3,(H,22,24)(H,23,26)/t18-,20+/m1/s1
InChIKeyWQUJWHUIZHHBBR-QUCCMNQESA-N
MW352.43 g/mol
LogP3.12
Rot. Bonds6

About N-[(1S,2R)-1-hydroxy-1-(2-methylphenyl)pentan-2-yl]-2-oxo-1,3-dihydroindole-4-carboxamide

N-[(1S,2R)-1-hydroxy-1-(2-methylphenyl)pentan-2-yl]-2-oxo-1,3-dihydroindole-4-carboxamide (PubChem CID 164617047) has the molecular formula C21H24N2O3 and a molecular weight of 352.43 g/mol. Its IUPAC name is N-[(1S,2R)-1-hydroxy-1-(2-methylphenyl)pentan-2-yl]-2-oxo-1,3-dihydroindole-4-carboxamide.

Molecular Properties

Compound NameN-[(1S,2R)-1-hydroxy-1-(2-methylphenyl)pentan-2-yl]-2-oxo-1,3-dihydroindole-4-carboxamide
PubChem CID164617047
Molecular FormulaC21H24N2O3
Molecular Weight352.43 g/mol
Exact Mass352.18
IUPAC NameN-[(1S,2R)-1-hydroxy-1-(2-methylphenyl)pentan-2-yl]-2-oxo-1,3-dihydroindole-4-carboxamide
SMILESCCC[C@@H](NC(=O)c1cccc2c1CC(=O)N2)[C@@H](O)c1ccccc1C
InChIInChI=1S/C21H24N2O3/c1-3-7-18(20(25)14-9-5-4-8-13(14)2)23-21(26)15-10-6-11-17-16(15)12-19(24)22-17/h4-6,8-11,18,20,25H,3,7,12H2,1-2H3,(H,22,24)(H,23,26)/t18-,20+/m1/s1
InChIKeyWQUJWHUIZHHBBR-QUCCMNQESA-N
XLogP3.12
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.43
LogP ≤ 53.12
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(1S,2R)-1-hydroxy-1-(2-methylphenyl)pentan-2-yl]-2-oxo-1,3-dihydroindole-4-carboxamide?
The IUPAC name of N-[(1S,2R)-1-hydroxy-1-(2-methylphenyl)pentan-2-yl]-2-oxo-1,3-dihydroindole-4-carboxamide (CID 164617047) is N-[(1S,2R)-1-hydroxy-1-(2-methylphenyl)pentan-2-yl]-2-oxo-1,3-dihydroindole-4-carboxamide.
What is the SMILES notation for N-[(1S,2R)-1-hydroxy-1-(2-methylphenyl)pentan-2-yl]-2-oxo-1,3-dihydroindole-4-carboxamide?
The canonical SMILES for N-[(1S,2R)-1-hydroxy-1-(2-methylphenyl)pentan-2-yl]-2-oxo-1,3-dihydroindole-4-carboxamide is CCC[C@@H](NC(=O)c1cccc2c1CC(=O)N2)[C@@H](O)c1ccccc1C.
What is the InChIKey of N-[(1S,2R)-1-hydroxy-1-(2-methylphenyl)pentan-2-yl]-2-oxo-1,3-dihydroindole-4-carboxamide?
The InChIKey is WQUJWHUIZHHBBR-QUCCMNQESA-N. The full InChI is InChI=1S/C21H24N2O3/c1-3-7-18(20(25)14-9-5-4-8-13(14)2)23-21(26)15-10-6-11-17-16(15)12-19(24)22-17/h4-6,8-11,18,20,25H,3,7,12H2,1-2H3,(H,22,24)(H,23,26)/t18-,20+/m1/s1.
What are the key properties of N-[(1S,2R)-1-hydroxy-1-(2-methylphenyl)pentan-2-yl]-2-oxo-1,3-dihydroindole-4-carboxamide?
N-[(1S,2R)-1-hydroxy-1-(2-methylphenyl)pentan-2-yl]-2-oxo-1,3-dihydroindole-4-carboxamide has a molecular weight of 352.43 g/mol, XLogP of 3.12, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S,2R)-1-hydroxy-1-(2-methylphenyl)pentan-2-yl]-2-oxo-1,3-dihydroindole-4-carboxamide is sourced from PubChem (CID 164617047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).