N'-naphthalen-1-yl-N-(2-propan-2-ylphenyl)oxamide

C21H20N2O2 — CID 108500558

IUPACN'-naphthalen-1-yl-N-(2-propan-2-ylphenyl)oxamide
SMILESCC(C)c1ccccc1NC(=O)C(=O)Nc1cccc2ccccc12
InChIInChI=1S/C21H20N2O2/c1-14(2)16-10-5-6-12-18(16)22-20(24)21(25)23-19-13-7-9-15-8-3-4-11-17(15)19/h3-14H,1-2H3,(H,22,24)(H,23,25)
InChIKeyBJXOKAGEXKSKDS-UHFFFAOYSA-N
MW332.40 g/mol
LogP4.54
Rot. Bonds3

About N'-naphthalen-1-yl-N-(2-propan-2-ylphenyl)oxamide

N'-naphthalen-1-yl-N-(2-propan-2-ylphenyl)oxamide (PubChem CID 108500558) has the molecular formula C21H20N2O2 and a molecular weight of 332.40 g/mol. Its IUPAC name is N'-naphthalen-1-yl-N-(2-propan-2-ylphenyl)oxamide.

Molecular Properties

Compound NameN'-naphthalen-1-yl-N-(2-propan-2-ylphenyl)oxamide
PubChem CID108500558
Molecular FormulaC21H20N2O2
Molecular Weight332.40 g/mol
Exact Mass332.15
IUPAC NameN'-naphthalen-1-yl-N-(2-propan-2-ylphenyl)oxamide
SMILESCC(C)c1ccccc1NC(=O)C(=O)Nc1cccc2ccccc12
InChIInChI=1S/C21H20N2O2/c1-14(2)16-10-5-6-12-18(16)22-20(24)21(25)23-19-13-7-9-15-8-3-4-11-17(15)19/h3-14H,1-2H3,(H,22,24)(H,23,25)
InChIKeyBJXOKAGEXKSKDS-UHFFFAOYSA-N
XLogP4.54
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.40
LogP ≤ 54.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N'-(2,6-dichlorophenyl)-N-(2-propan-2-ylphenyl)oxamide
CID 108500627
N-(2-butan-2-ylphenyl)-N'-(5-hydroxynaphthalen-1-yl)oxamide
CID 108509432
2-methyl-N-(2-propan-2-ylphenyl)prop-2-enamide
CID 86076819
2-bromo-3-methyl-N-naphthalen-1-ylbutanamide
CID 4074049
2-methyl-N-naphthalen-1-ylpentanamide
CID 112762783
N-(2,2-dimethoxyethyl)-N'-naphthalen-1-yloxamide
CID 108528052
2-iodo-N-(2-propan-2-ylphenyl)acetamide
CID 4198881
N-(2-propan-2-ylphenyl)propanamide
CID 723442
3-amino-N-(2-propan-2-ylphenyl)propanamide;hydrochloride
CID 71828995
N-(5-hydroxypentyl)-N'-(2-propan-2-ylphenyl)oxamide
CID 108500540
N'-(1-hydroxy-4-methylpentan-3-yl)-N-(2-propan-2-ylphenyl)oxamide
CID 111798693
ethyl 2-[[2-oxo-2-(2-propan-2-ylanilino)acetyl]amino]benzoate
CID 108500401

Frequently Asked Questions

What is the IUPAC name of N'-naphthalen-1-yl-N-(2-propan-2-ylphenyl)oxamide?
The IUPAC name of N'-naphthalen-1-yl-N-(2-propan-2-ylphenyl)oxamide (CID 108500558) is N'-naphthalen-1-yl-N-(2-propan-2-ylphenyl)oxamide.
What is the SMILES notation for N'-naphthalen-1-yl-N-(2-propan-2-ylphenyl)oxamide?
The canonical SMILES for N'-naphthalen-1-yl-N-(2-propan-2-ylphenyl)oxamide is CC(C)c1ccccc1NC(=O)C(=O)Nc1cccc2ccccc12.
What is the InChIKey of N'-naphthalen-1-yl-N-(2-propan-2-ylphenyl)oxamide?
The InChIKey is BJXOKAGEXKSKDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N2O2/c1-14(2)16-10-5-6-12-18(16)22-20(24)21(25)23-19-13-7-9-15-8-3-4-11-17(15)19/h3-14H,1-2H3,(H,22,24)(H,23,25).
What are the key properties of N'-naphthalen-1-yl-N-(2-propan-2-ylphenyl)oxamide?
N'-naphthalen-1-yl-N-(2-propan-2-ylphenyl)oxamide has a molecular weight of 332.40 g/mol, XLogP of 4.54, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-naphthalen-1-yl-N-(2-propan-2-ylphenyl)oxamide is sourced from PubChem (CID 108500558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).