N-(3-hydroxy-3-phenylpropyl)-2-(6-methyl-2,3-dihydroindol-1-yl)-2-oxoacetamide

C20H22N2O3 — CID 111490965

IUPACN-(3-hydroxy-3-phenylpropyl)-2-(6-methyl-2,3-dihydroindol-1-yl)-2-oxoacetamide
SMILESCc1ccc2c(c1)N(C(=O)C(=O)NCCC(O)c1ccccc1)CC2
InChIInChI=1S/C20H22N2O3/c1-14-7-8-15-10-12-22(17(15)13-14)20(25)19(24)21-11-9-18(23)16-5-3-2-4-6-16/h2-8,13,18,23H,9-12H2,1H3,(H,21,24)
InChIKeyWRFDPVCGUFOGRV-UHFFFAOYSA-N
MW338.41 g/mol
LogP2.12
Rot. Bonds4

About N-(3-hydroxy-3-phenylpropyl)-2-(6-methyl-2,3-dihydroindol-1-yl)-2-oxoacetamide

N-(3-hydroxy-3-phenylpropyl)-2-(6-methyl-2,3-dihydroindol-1-yl)-2-oxoacetamide (PubChem CID 111490965) has the molecular formula C20H22N2O3 and a molecular weight of 338.41 g/mol. Its IUPAC name is N-(3-hydroxy-3-phenylpropyl)-2-(6-methyl-2,3-dihydroindol-1-yl)-2-oxoacetamide.

Molecular Properties

Compound NameN-(3-hydroxy-3-phenylpropyl)-2-(6-methyl-2,3-dihydroindol-1-yl)-2-oxoacetamide
PubChem CID111490965
Molecular FormulaC20H22N2O3
Molecular Weight338.41 g/mol
Exact Mass338.16
IUPAC NameN-(3-hydroxy-3-phenylpropyl)-2-(6-methyl-2,3-dihydroindol-1-yl)-2-oxoacetamide
SMILESCc1ccc2c(c1)N(C(=O)C(=O)NCCC(O)c1ccccc1)CC2
InChIInChI=1S/C20H22N2O3/c1-14-7-8-15-10-12-22(17(15)13-14)20(25)19(24)21-11-9-18(23)16-5-3-2-4-6-16/h2-8,13,18,23H,9-12H2,1H3,(H,21,24)
InChIKeyWRFDPVCGUFOGRV-UHFFFAOYSA-N
XLogP2.12
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.41
LogP ≤ 52.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Related Compounds

N-(3-hydroxy-2,2,4-trimethylpentyl)-2-(6-methyl-2,3-dihydroindol-1-yl)-2-oxoacetamide
CID 109389448
N-(2-ethyl-2-hydroxybutyl)-2-(6-methyl-2,3-dihydroindol-1-yl)-2-oxoacetamide
CID 48893825
N-(1-hydroxypropan-2-yl)-2-(6-methyl-2,3-dihydroindol-1-yl)-2-oxoacetamide
CID 110910414
N-(3-hydroxy-3-phenylpropyl)acetamide
CID 67579721
3-amino-1-(7-methyl-3,4-dihydro-2H-quinolin-1-yl)-3-phenylpropan-1-one
CID 119951464
N-benzyl-2-(2,3-dihydroindol-1-yl)-2-oxoacetamide
CID 108508973
2-amino-1-(6-methyl-2,3-dihydroindol-1-yl)ethanone;hydrochloride
CID 131036223
1-(3-hydroxy-3-phenylpropyl)-3-[2-(4-methylphenyl)ethyl]urea
CID 111506398
methyl N-[(3R)-3-hydroxy-3-phenylpropyl]carbamate
CID 58297917
2-(3,5-dimethylpyrazol-1-yl)-N-(3-hydroxy-3-phenylpropyl)propanamide
CID 111472022
2-(2,3-dihydroindol-1-yl)-N-[2-(3,4-dimethoxyphenyl)ethyl]-2-oxoacetamide
CID 108506307
N-(3-hydroxy-3-phenylpropyl)-2-(4-methylphenoxy)acetamide
CID 71689998

Frequently Asked Questions

What is the IUPAC name of N-(3-hydroxy-3-phenylpropyl)-2-(6-methyl-2,3-dihydroindol-1-yl)-2-oxoacetamide?
The IUPAC name of N-(3-hydroxy-3-phenylpropyl)-2-(6-methyl-2,3-dihydroindol-1-yl)-2-oxoacetamide (CID 111490965) is N-(3-hydroxy-3-phenylpropyl)-2-(6-methyl-2,3-dihydroindol-1-yl)-2-oxoacetamide.
What is the SMILES notation for N-(3-hydroxy-3-phenylpropyl)-2-(6-methyl-2,3-dihydroindol-1-yl)-2-oxoacetamide?
The canonical SMILES for N-(3-hydroxy-3-phenylpropyl)-2-(6-methyl-2,3-dihydroindol-1-yl)-2-oxoacetamide is Cc1ccc2c(c1)N(C(=O)C(=O)NCCC(O)c1ccccc1)CC2.
What is the InChIKey of N-(3-hydroxy-3-phenylpropyl)-2-(6-methyl-2,3-dihydroindol-1-yl)-2-oxoacetamide?
The InChIKey is WRFDPVCGUFOGRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N2O3/c1-14-7-8-15-10-12-22(17(15)13-14)20(25)19(24)21-11-9-18(23)16-5-3-2-4-6-16/h2-8,13,18,23H,9-12H2,1H3,(H,21,24).
What are the key properties of N-(3-hydroxy-3-phenylpropyl)-2-(6-methyl-2,3-dihydroindol-1-yl)-2-oxoacetamide?
N-(3-hydroxy-3-phenylpropyl)-2-(6-methyl-2,3-dihydroindol-1-yl)-2-oxoacetamide has a molecular weight of 338.41 g/mol, XLogP of 2.12, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-hydroxy-3-phenylpropyl)-2-(6-methyl-2,3-dihydroindol-1-yl)-2-oxoacetamide is sourced from PubChem (CID 111490965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).