N-(3-hydroxy-3-naphthalen-1-ylpropyl)-N'-(4-methylphenyl)oxamide

C22H22N2O3 — CID 90524589

IUPACN-(3-hydroxy-3-naphthalen-1-ylpropyl)-N'-(4-methylphenyl)oxamide
SMILESCc1ccc(NC(=O)C(=O)NCCC(O)c2cccc3ccccc23)cc1
InChIInChI=1S/C22H22N2O3/c1-15-9-11-17(12-10-15)24-22(27)21(26)23-14-13-20(25)19-8-4-6-16-5-2-3-7-18(16)19/h2-12,20,25H,13-14H2,1H3,(H,23,26)(H,24,27)
InChIKeyCNWKQWBLGQZDPS-UHFFFAOYSA-N
MW362.43 g/mol
LogP3.33
Rot. Bonds5

About N-(3-hydroxy-3-naphthalen-1-ylpropyl)-N'-(4-methylphenyl)oxamide

N-(3-hydroxy-3-naphthalen-1-ylpropyl)-N'-(4-methylphenyl)oxamide (PubChem CID 90524589) has the molecular formula C22H22N2O3 and a molecular weight of 362.43 g/mol. Its IUPAC name is N-(3-hydroxy-3-naphthalen-1-ylpropyl)-N'-(4-methylphenyl)oxamide.

Molecular Properties

Compound NameN-(3-hydroxy-3-naphthalen-1-ylpropyl)-N'-(4-methylphenyl)oxamide
PubChem CID90524589
Molecular FormulaC22H22N2O3
Molecular Weight362.43 g/mol
Exact Mass362.16
IUPAC NameN-(3-hydroxy-3-naphthalen-1-ylpropyl)-N'-(4-methylphenyl)oxamide
SMILESCc1ccc(NC(=O)C(=O)NCCC(O)c2cccc3ccccc23)cc1
InChIInChI=1S/C22H22N2O3/c1-15-9-11-17(12-10-15)24-22(27)21(26)23-14-13-20(25)19-8-4-6-16-5-2-3-7-18(16)19/h2-12,20,25H,13-14H2,1H3,(H,23,26)(H,24,27)
InChIKeyCNWKQWBLGQZDPS-UHFFFAOYSA-N
XLogP3.33
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.43
LogP ≤ 53.33
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-(3-hydroxy-3-naphthalen-1-ylpropyl)-N'-(4-propan-2-ylphenyl)oxamide
CID 90524620
N'-(4-acetamidophenyl)-N-(2-hydroxy-2-naphthalen-1-ylethyl)oxamide
CID 90497463
N-(3-hydroxy-3-naphthalen-1-ylpropyl)-2-methylpropanamide
CID 90524323
N-(3-hydroxy-3-naphthalen-1-ylpropyl)butanamide
CID 90524322
N-(3-hydroxy-3-naphthalen-1-ylpropyl)-2,2-diphenylacetamide
CID 90524453
N-(2-hydroxy-2-naphthalen-1-ylethyl)-N'-[4-(trifluoromethyl)phenyl]oxamide
CID 56764179
N-(3-hydroxy-3-naphthalen-1-ylpropyl)-2-methoxyacetamide
CID 71787908
N-(3-hydroxy-3-thiophen-3-ylpropyl)-N'-(4-methylphenyl)oxamide
CID 121132268
N-(3-hydroxy-3-naphthalen-1-ylpropyl)cyclopropanecarboxamide
CID 71787907
N-(3-hydroxy-3-naphthalen-1-ylpropyl)thiophene-2-carboxamide
CID 90524337
N'-(3,4-dimethoxyphenyl)-N-(2-hydroxy-2-naphthalen-1-ylethyl)oxamide
CID 90497468
1-(3-hydroxy-3-naphthalen-1-ylpropyl)-3-(2-phenylethyl)urea
CID 90524671

Frequently Asked Questions

What is the IUPAC name of N-(3-hydroxy-3-naphthalen-1-ylpropyl)-N'-(4-methylphenyl)oxamide?
The IUPAC name of N-(3-hydroxy-3-naphthalen-1-ylpropyl)-N'-(4-methylphenyl)oxamide (CID 90524589) is N-(3-hydroxy-3-naphthalen-1-ylpropyl)-N'-(4-methylphenyl)oxamide.
What is the SMILES notation for N-(3-hydroxy-3-naphthalen-1-ylpropyl)-N'-(4-methylphenyl)oxamide?
The canonical SMILES for N-(3-hydroxy-3-naphthalen-1-ylpropyl)-N'-(4-methylphenyl)oxamide is Cc1ccc(NC(=O)C(=O)NCCC(O)c2cccc3ccccc23)cc1.
What is the InChIKey of N-(3-hydroxy-3-naphthalen-1-ylpropyl)-N'-(4-methylphenyl)oxamide?
The InChIKey is CNWKQWBLGQZDPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N2O3/c1-15-9-11-17(12-10-15)24-22(27)21(26)23-14-13-20(25)19-8-4-6-16-5-2-3-7-18(16)19/h2-12,20,25H,13-14H2,1H3,(H,23,26)(H,24,27).
What are the key properties of N-(3-hydroxy-3-naphthalen-1-ylpropyl)-N'-(4-methylphenyl)oxamide?
N-(3-hydroxy-3-naphthalen-1-ylpropyl)-N'-(4-methylphenyl)oxamide has a molecular weight of 362.43 g/mol, XLogP of 3.33, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-hydroxy-3-naphthalen-1-ylpropyl)-N'-(4-methylphenyl)oxamide is sourced from PubChem (CID 90524589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).