N-(3-hydroxy-3-naphthalen-1-ylpropyl)-N'-(4-propan-2-ylphenyl)oxamide

C24H26N2O3 — CID 90524620

IUPACN-(3-hydroxy-3-naphthalen-1-ylpropyl)-N'-(4-propan-2-ylphenyl)oxamide
SMILESCC(C)c1ccc(NC(=O)C(=O)NCCC(O)c2cccc3ccccc23)cc1
InChIInChI=1S/C24H26N2O3/c1-16(2)17-10-12-19(13-11-17)26-24(29)23(28)25-15-14-22(27)21-9-5-7-18-6-3-4-8-20(18)21/h3-13,16,22,27H,14-15H2,1-2H3,(H,25,28)(H,26,29)
InChIKeyVYUFRTBODXZNKT-UHFFFAOYSA-N
MW390.48 g/mol
LogP4.14
Rot. Bonds6

About N-(3-hydroxy-3-naphthalen-1-ylpropyl)-N'-(4-propan-2-ylphenyl)oxamide

N-(3-hydroxy-3-naphthalen-1-ylpropyl)-N'-(4-propan-2-ylphenyl)oxamide (PubChem CID 90524620) has the molecular formula C24H26N2O3 and a molecular weight of 390.48 g/mol. Its IUPAC name is N-(3-hydroxy-3-naphthalen-1-ylpropyl)-N'-(4-propan-2-ylphenyl)oxamide.

Molecular Properties

Compound NameN-(3-hydroxy-3-naphthalen-1-ylpropyl)-N'-(4-propan-2-ylphenyl)oxamide
PubChem CID90524620
Molecular FormulaC24H26N2O3
Molecular Weight390.48 g/mol
Exact Mass390.19
IUPAC NameN-(3-hydroxy-3-naphthalen-1-ylpropyl)-N'-(4-propan-2-ylphenyl)oxamide
SMILESCC(C)c1ccc(NC(=O)C(=O)NCCC(O)c2cccc3ccccc23)cc1
InChIInChI=1S/C24H26N2O3/c1-16(2)17-10-12-19(13-11-17)26-24(29)23(28)25-15-14-22(27)21-9-5-7-18-6-3-4-8-20(18)21/h3-13,16,22,27H,14-15H2,1-2H3,(H,25,28)(H,26,29)
InChIKeyVYUFRTBODXZNKT-UHFFFAOYSA-N
XLogP4.14
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.48
LogP ≤ 54.14
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-methylphenyl)oxamide
CID 90524589
N-(3-hydroxy-3-naphthalen-1-ylpropyl)-2-methylpropanamide
CID 90524323
N'-(4-acetamidophenyl)-N-(2-hydroxy-2-naphthalen-1-ylethyl)oxamide
CID 90497463
N-(3-hydroxy-3-thiophen-3-ylpropyl)-N'-(4-propan-2-ylphenyl)oxamide
CID 121132289
N-[3-(furan-3-yl)-3-hydroxypropyl]-N'-(4-propan-2-ylphenyl)oxamide
CID 121132940
N-(3-hydroxy-3-naphthalen-1-ylpropyl)-2,2-diphenylacetamide
CID 90524453
N-(3-hydroxy-3-naphthalen-1-ylpropyl)butanamide
CID 90524322
N-(2-aminoethyl)-N'-(4-propan-2-ylphenyl)oxamide
CID 43316008
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-naphthalen-1-ylpropyl)cyclopropanecarboxamide
CID 71787907
N-(3-hydroxy-3-naphthalen-1-ylpropyl)thiophene-2-carboxamide
CID 90524337

Frequently Asked Questions

What is the IUPAC name of N-(3-hydroxy-3-naphthalen-1-ylpropyl)-N'-(4-propan-2-ylphenyl)oxamide?
The IUPAC name of N-(3-hydroxy-3-naphthalen-1-ylpropyl)-N'-(4-propan-2-ylphenyl)oxamide (CID 90524620) is N-(3-hydroxy-3-naphthalen-1-ylpropyl)-N'-(4-propan-2-ylphenyl)oxamide.
What is the SMILES notation for N-(3-hydroxy-3-naphthalen-1-ylpropyl)-N'-(4-propan-2-ylphenyl)oxamide?
The canonical SMILES for N-(3-hydroxy-3-naphthalen-1-ylpropyl)-N'-(4-propan-2-ylphenyl)oxamide is CC(C)c1ccc(NC(=O)C(=O)NCCC(O)c2cccc3ccccc23)cc1.
What is the InChIKey of N-(3-hydroxy-3-naphthalen-1-ylpropyl)-N'-(4-propan-2-ylphenyl)oxamide?
The InChIKey is VYUFRTBODXZNKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N2O3/c1-16(2)17-10-12-19(13-11-17)26-24(29)23(28)25-15-14-22(27)21-9-5-7-18-6-3-4-8-20(18)21/h3-13,16,22,27H,14-15H2,1-2H3,(H,25,28)(H,26,29).
What are the key properties of N-(3-hydroxy-3-naphthalen-1-ylpropyl)-N'-(4-propan-2-ylphenyl)oxamide?
N-(3-hydroxy-3-naphthalen-1-ylpropyl)-N'-(4-propan-2-ylphenyl)oxamide has a molecular weight of 390.48 g/mol, XLogP of 4.14, 6 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-propan-2-ylphenyl)oxamide is sourced from PubChem (CID 90524620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).