N-[2-hydroxy-2-(1-methyl-2,3-dihydroindol-5-yl)ethyl]-N'-(3-methylphenyl)oxamide

C20H23N3O3 — CID 90582484

IUPACN-[2-hydroxy-2-(1-methyl-2,3-dihydroindol-5-yl)ethyl]-N'-(3-methylphenyl)oxamide
SMILESCc1cccc(NC(=O)C(=O)NCC(O)c2ccc3c(c2)CCN3C)c1
InChIInChI=1S/C20H23N3O3/c1-13-4-3-5-16(10-13)22-20(26)19(25)21-12-18(24)15-6-7-17-14(11-15)8-9-23(17)2/h3-7,10-11,18,24H,8-9,12H2,1-2H3,(H,21,25)(H,22,26)
InChIKeySDWGZHKIGBIGAG-UHFFFAOYSA-N
MW353.42 g/mol
LogP1.78
Rot. Bonds4

About N-[2-hydroxy-2-(1-methyl-2,3-dihydroindol-5-yl)ethyl]-N'-(3-methylphenyl)oxamide

N-[2-hydroxy-2-(1-methyl-2,3-dihydroindol-5-yl)ethyl]-N'-(3-methylphenyl)oxamide (PubChem CID 90582484) has the molecular formula C20H23N3O3 and a molecular weight of 353.42 g/mol. Its IUPAC name is N-[2-hydroxy-2-(1-methyl-2,3-dihydroindol-5-yl)ethyl]-N'-(3-methylphenyl)oxamide.

Molecular Properties

Compound NameN-[2-hydroxy-2-(1-methyl-2,3-dihydroindol-5-yl)ethyl]-N'-(3-methylphenyl)oxamide
PubChem CID90582484
Molecular FormulaC20H23N3O3
Molecular Weight353.42 g/mol
Exact Mass353.17
IUPAC NameN-[2-hydroxy-2-(1-methyl-2,3-dihydroindol-5-yl)ethyl]-N'-(3-methylphenyl)oxamide
SMILESCc1cccc(NC(=O)C(=O)NCC(O)c2ccc3c(c2)CCN3C)c1
InChIInChI=1S/C20H23N3O3/c1-13-4-3-5-16(10-13)22-20(26)19(25)21-12-18(24)15-6-7-17-14(11-15)8-9-23(17)2/h3-7,10-11,18,24H,8-9,12H2,1-2H3,(H,21,25)(H,22,26)
InChIKeySDWGZHKIGBIGAG-UHFFFAOYSA-N
XLogP1.78
TPSA81.67 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.42
LogP ≤ 51.78
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_D(198)', 'substructure': 'N/A'}, {'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Related Compounds

N'-(4-chlorophenyl)-N-[2-hydroxy-2-(1-methyl-2,3-dihydroindol-5-yl)ethyl]oxamide
CID 90582509
N'-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[(2R)-2-hydroxy-2-(1-methyl-2,3-dihydroindol-5-yl)ethyl]oxamide
CID 129373779
N'-(2-fluorophenyl)-N-[2-hydroxy-2-(1-methyl-2,3-dihydroindol-5-yl)ethyl]oxamide
CID 90582486
N-[2-hydroxy-2-(1-methyl-2,3-dihydroindol-5-yl)ethyl]-2-methylpropanamide
CID 90582111
N'-(3-acetamidophenyl)-N-[(2S)-2-(1-methyl-2,3-dihydroindol-5-yl)-2-piperidin-1-ylethyl]oxamide
CID 51641005
N'-cyclopentyl-N-[(2R)-2-hydroxy-2-(1-methyl-2,3-dihydroindol-5-yl)ethyl]oxamide
CID 129373749
N'-(3-fluorophenyl)-N-[(2S)-2-(1-methyl-2,3-dihydroindol-5-yl)-2-pyrrolidin-1-ylethyl]oxamide
CID 40890634
N-[(2S)-2-(1-methyl-2,3-dihydroindol-5-yl)-2-pyrrolidin-1-ylethyl]-N'-phenyloxamide
CID 51449135
N-[2-hydroxy-2-(1-methyl-2,3-dihydroindol-5-yl)ethyl]-N'-(2-methyl-5-nitrophenyl)oxamide
CID 90582543
N'-(3-methoxyphenyl)-N-[2-(1-methyl-2,3-dihydroindol-5-yl)-2-(4-methylpiperazin-1-yl)ethyl]oxamide
CID 16802024
N-[2-hydroxy-2-(1-methyl-2,3-dihydroindol-5-yl)ethyl]-2,2-dimethylpropanamide
CID 90582117
N-[(2S)-2-hydroxy-2-(1-methyl-2,3-dihydroindol-5-yl)ethyl]-2,2-dimethylpropanamide
CID 129373617

Frequently Asked Questions

What is the IUPAC name of N-[2-hydroxy-2-(1-methyl-2,3-dihydroindol-5-yl)ethyl]-N'-(3-methylphenyl)oxamide?
The IUPAC name of N-[2-hydroxy-2-(1-methyl-2,3-dihydroindol-5-yl)ethyl]-N'-(3-methylphenyl)oxamide (CID 90582484) is N-[2-hydroxy-2-(1-methyl-2,3-dihydroindol-5-yl)ethyl]-N'-(3-methylphenyl)oxamide.
What is the SMILES notation for N-[2-hydroxy-2-(1-methyl-2,3-dihydroindol-5-yl)ethyl]-N'-(3-methylphenyl)oxamide?
The canonical SMILES for N-[2-hydroxy-2-(1-methyl-2,3-dihydroindol-5-yl)ethyl]-N'-(3-methylphenyl)oxamide is Cc1cccc(NC(=O)C(=O)NCC(O)c2ccc3c(c2)CCN3C)c1.
What is the InChIKey of N-[2-hydroxy-2-(1-methyl-2,3-dihydroindol-5-yl)ethyl]-N'-(3-methylphenyl)oxamide?
The InChIKey is SDWGZHKIGBIGAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N3O3/c1-13-4-3-5-16(10-13)22-20(26)19(25)21-12-18(24)15-6-7-17-14(11-15)8-9-23(17)2/h3-7,10-11,18,24H,8-9,12H2,1-2H3,(H,21,25)(H,22,26).
What are the key properties of N-[2-hydroxy-2-(1-methyl-2,3-dihydroindol-5-yl)ethyl]-N'-(3-methylphenyl)oxamide?
N-[2-hydroxy-2-(1-methyl-2,3-dihydroindol-5-yl)ethyl]-N'-(3-methylphenyl)oxamide has a molecular weight of 353.42 g/mol, XLogP of 1.78, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-hydroxy-2-(1-methyl-2,3-dihydroindol-5-yl)ethyl]-N'-(3-methylphenyl)oxamide is sourced from PubChem (CID 90582484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).