N-(2-hydroxy-2-naphthalen-2-ylethyl)-N'-(2-methylphenyl)oxamide

C21H20N2O3 — CID 111111436

IUPACN-(2-hydroxy-2-naphthalen-2-ylethyl)-N'-(2-methylphenyl)oxamide
SMILESCc1ccccc1NC(=O)C(=O)NCC(O)c1ccc2ccccc2c1
InChIInChI=1S/C21H20N2O3/c1-14-6-2-5-9-18(14)23-21(26)20(25)22-13-19(24)17-11-10-15-7-3-4-8-16(15)12-17/h2-12,19,24H,13H2,1H3,(H,22,25)(H,23,26)
InChIKeyLURFWTHWQYSCCK-UHFFFAOYSA-N
MW348.40 g/mol
LogP2.94
Rot. Bonds4

About N-(2-hydroxy-2-naphthalen-2-ylethyl)-N'-(2-methylphenyl)oxamide

N-(2-hydroxy-2-naphthalen-2-ylethyl)-N'-(2-methylphenyl)oxamide (PubChem CID 111111436) has the molecular formula C21H20N2O3 and a molecular weight of 348.40 g/mol. Its IUPAC name is N-(2-hydroxy-2-naphthalen-2-ylethyl)-N'-(2-methylphenyl)oxamide.

Molecular Properties

Compound NameN-(2-hydroxy-2-naphthalen-2-ylethyl)-N'-(2-methylphenyl)oxamide
PubChem CID111111436
Molecular FormulaC21H20N2O3
Molecular Weight348.40 g/mol
Exact Mass348.15
IUPAC NameN-(2-hydroxy-2-naphthalen-2-ylethyl)-N'-(2-methylphenyl)oxamide
SMILESCc1ccccc1NC(=O)C(=O)NCC(O)c1ccc2ccccc2c1
InChIInChI=1S/C21H20N2O3/c1-14-6-2-5-9-18(14)23-21(26)20(25)22-13-19(24)17-11-10-15-7-3-4-8-16(15)12-17/h2-12,19,24H,13H2,1H3,(H,22,25)(H,23,26)
InChIKeyLURFWTHWQYSCCK-UHFFFAOYSA-N
XLogP2.94
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.40
LogP ≤ 52.94
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[2-hydroxy-2-(1-methylindol-5-yl)ethyl]-N'-(2-methylphenyl)oxamide
CID 121179976
N-(2-hydroxy-2-thiophen-3-ylethyl)-N'-(2-methylphenyl)oxamide
CID 90496639
N-(2-hydroxy-2-naphthalen-2-ylethyl)-2-methylpropanamide
CID 111112159
N-(2,2-dimethoxyethyl)-N'-(2-methylphenyl)oxamide
CID 7541682
N-[2-(3,4-dimethoxyphenyl)-2-hydroxyethyl]-N'-(2-methoxyphenyl)oxamide
CID 90613594
1-[(2S)-2-[4-(dimethylamino)phenyl]-2-hydroxyethyl]-3-(2-methylphenyl)urea
CID 97106061
N-(2-hydroxy-2-naphthalen-2-ylethyl)-4-methylsulfanylbutanamide
CID 111434804
N-[2-hydroxy-2-(1-methylindol-3-yl)ethyl]-N'-(2-methylphenyl)oxamide
CID 90535235
N-(2-hydroxy-2-naphthalen-2-ylethyl)-3-methoxypropanamide
CID 111112240
N-[2-hydroxy-2-(1-methylindol-5-yl)ethyl]-N'-[2-(trifluoromethyl)phenyl]oxamide
CID 121180021
N-(2-hydroxy-2-naphthalen-2-ylethyl)-2,6-dimethylpyridine-3-carboxamide
CID 56785820
N-[2-[4-(dimethylamino)phenyl]-2-hydroxyethyl]-N'-(2,5-dimethylphenyl)oxamide
CID 90581652

Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxy-2-naphthalen-2-ylethyl)-N'-(2-methylphenyl)oxamide?
The IUPAC name of N-(2-hydroxy-2-naphthalen-2-ylethyl)-N'-(2-methylphenyl)oxamide (CID 111111436) is N-(2-hydroxy-2-naphthalen-2-ylethyl)-N'-(2-methylphenyl)oxamide.
What is the SMILES notation for N-(2-hydroxy-2-naphthalen-2-ylethyl)-N'-(2-methylphenyl)oxamide?
The canonical SMILES for N-(2-hydroxy-2-naphthalen-2-ylethyl)-N'-(2-methylphenyl)oxamide is Cc1ccccc1NC(=O)C(=O)NCC(O)c1ccc2ccccc2c1.
What is the InChIKey of N-(2-hydroxy-2-naphthalen-2-ylethyl)-N'-(2-methylphenyl)oxamide?
The InChIKey is LURFWTHWQYSCCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N2O3/c1-14-6-2-5-9-18(14)23-21(26)20(25)22-13-19(24)17-11-10-15-7-3-4-8-16(15)12-17/h2-12,19,24H,13H2,1H3,(H,22,25)(H,23,26).
What are the key properties of N-(2-hydroxy-2-naphthalen-2-ylethyl)-N'-(2-methylphenyl)oxamide?
N-(2-hydroxy-2-naphthalen-2-ylethyl)-N'-(2-methylphenyl)oxamide has a molecular weight of 348.40 g/mol, XLogP of 2.94, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxy-2-naphthalen-2-ylethyl)-N'-(2-methylphenyl)oxamide is sourced from PubChem (CID 111111436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).