N'-(2,6-dimethylphenyl)-N-[2-hydroxy-2-(1-methylindol-3-yl)ethyl]oxamide

C21H23N3O3 — CID 90535246

IUPACN'-(2,6-dimethylphenyl)-N-[2-hydroxy-2-(1-methylindol-3-yl)ethyl]oxamide
SMILESCc1cccc(C)c1NC(=O)C(=O)NCC(O)c1cn(C)c2ccccc12
InChIInChI=1S/C21H23N3O3/c1-13-7-6-8-14(2)19(13)23-21(27)20(26)22-11-18(25)16-12-24(3)17-10-5-4-9-15(16)17/h4-10,12,18,25H,11H2,1-3H3,(H,22,26)(H,23,27)
InChIKeyNUNLVCFGSMPUHQ-UHFFFAOYSA-N
MW365.43 g/mol
LogP2.58
Rot. Bonds4

About N'-(2,6-dimethylphenyl)-N-[2-hydroxy-2-(1-methylindol-3-yl)ethyl]oxamide

N'-(2,6-dimethylphenyl)-N-[2-hydroxy-2-(1-methylindol-3-yl)ethyl]oxamide (PubChem CID 90535246) has the molecular formula C21H23N3O3 and a molecular weight of 365.43 g/mol. Its IUPAC name is N'-(2,6-dimethylphenyl)-N-[2-hydroxy-2-(1-methylindol-3-yl)ethyl]oxamide.

Molecular Properties

Compound NameN'-(2,6-dimethylphenyl)-N-[2-hydroxy-2-(1-methylindol-3-yl)ethyl]oxamide
PubChem CID90535246
Molecular FormulaC21H23N3O3
Molecular Weight365.43 g/mol
Exact Mass365.17
IUPAC NameN'-(2,6-dimethylphenyl)-N-[2-hydroxy-2-(1-methylindol-3-yl)ethyl]oxamide
SMILESCc1cccc(C)c1NC(=O)C(=O)NCC(O)c1cn(C)c2ccccc12
InChIInChI=1S/C21H23N3O3/c1-13-7-6-8-14(2)19(13)23-21(27)20(26)22-11-18(25)16-12-24(3)17-10-5-4-9-15(16)17/h4-10,12,18,25H,11H2,1-3H3,(H,22,26)(H,23,27)
InChIKeyNUNLVCFGSMPUHQ-UHFFFAOYSA-N
XLogP2.58
TPSA83.36 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.43
LogP ≤ 52.58
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[2-hydroxy-2-(1-methylindol-3-yl)ethyl]-N'-(2-methylphenyl)oxamide
CID 90535235
N'-(3,5-dimethylphenyl)-N-[2-hydroxy-2-(1-methylindol-3-yl)ethyl]oxamide
CID 90535242
N'-(5-chloro-2-methylphenyl)-N-[2-hydroxy-2-(1-methylindol-3-yl)ethyl]oxamide
CID 90535276
N'-(3-fluoro-4-methylphenyl)-N-[2-hydroxy-2-(1-methylindol-3-yl)ethyl]oxamide
CID 71788710
1-[2-hydroxy-2-(1-methylindol-3-yl)ethyl]-3-(2-methylphenyl)urea
CID 71788722
N-[(2S)-2-hydroxy-2-(1-methylindol-3-yl)ethyl]-N'-pyridin-3-yloxamide
CID 97414117
N-[2-hydroxy-2-(1-methylindol-3-yl)ethyl]-N'-[4-methyl-3-(2-oxopyrrolidin-1-yl)phenyl]oxamide
CID 90535296
N'-[4-(1,1-dioxothiazinan-2-yl)phenyl]-N-[2-hydroxy-2-(1-methylindol-3-yl)ethyl]oxamide
CID 71788718
2-bromo-N-[2-hydroxy-2-(1-methylindol-3-yl)ethyl]benzamide
CID 71788673
1-benzhydryl-3-[2-hydroxy-2-(1-methylindol-3-yl)ethyl]urea
CID 90535339
1-(4-tert-butylphenyl)-3-[2-hydroxy-2-(1-methylindol-3-yl)ethyl]urea
CID 90535325
N-[2-(cyclohexen-1-yl)ethyl]-N'-[2-hydroxy-2-(1-methylindol-3-yl)ethyl]oxamide
CID 90535253

Frequently Asked Questions

What is the IUPAC name of N'-(2,6-dimethylphenyl)-N-[2-hydroxy-2-(1-methylindol-3-yl)ethyl]oxamide?
The IUPAC name of N'-(2,6-dimethylphenyl)-N-[2-hydroxy-2-(1-methylindol-3-yl)ethyl]oxamide (CID 90535246) is N'-(2,6-dimethylphenyl)-N-[2-hydroxy-2-(1-methylindol-3-yl)ethyl]oxamide.
What is the SMILES notation for N'-(2,6-dimethylphenyl)-N-[2-hydroxy-2-(1-methylindol-3-yl)ethyl]oxamide?
The canonical SMILES for N'-(2,6-dimethylphenyl)-N-[2-hydroxy-2-(1-methylindol-3-yl)ethyl]oxamide is Cc1cccc(C)c1NC(=O)C(=O)NCC(O)c1cn(C)c2ccccc12.
What is the InChIKey of N'-(2,6-dimethylphenyl)-N-[2-hydroxy-2-(1-methylindol-3-yl)ethyl]oxamide?
The InChIKey is NUNLVCFGSMPUHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N3O3/c1-13-7-6-8-14(2)19(13)23-21(27)20(26)22-11-18(25)16-12-24(3)17-10-5-4-9-15(16)17/h4-10,12,18,25H,11H2,1-3H3,(H,22,26)(H,23,27).
What are the key properties of N'-(2,6-dimethylphenyl)-N-[2-hydroxy-2-(1-methylindol-3-yl)ethyl]oxamide?
N'-(2,6-dimethylphenyl)-N-[2-hydroxy-2-(1-methylindol-3-yl)ethyl]oxamide has a molecular weight of 365.43 g/mol, XLogP of 2.58, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(2,6-dimethylphenyl)-N-[2-hydroxy-2-(1-methylindol-3-yl)ethyl]oxamide is sourced from PubChem (CID 90535246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).