N-(4-butylphenyl)-N'-naphthalen-1-yloxamide

C22H22N2O2 — CID 108502463

IUPACN-(4-butylphenyl)-N'-naphthalen-1-yloxamide
SMILESCCCCc1ccc(NC(=O)C(=O)Nc2cccc3ccccc23)cc1
InChIInChI=1S/C22H22N2O2/c1-2-3-7-16-12-14-18(15-13-16)23-21(25)22(26)24-20-11-6-9-17-8-4-5-10-19(17)20/h4-6,8-15H,2-3,7H2,1H3,(H,23,25)(H,24,26)
InChIKeyIXNNMRTXXNMAGY-UHFFFAOYSA-N
MW346.43 g/mol
LogP4.76
Rot. Bonds5

About N-(4-butylphenyl)-N'-naphthalen-1-yloxamide

N-(4-butylphenyl)-N'-naphthalen-1-yloxamide (PubChem CID 108502463) has the molecular formula C22H22N2O2 and a molecular weight of 346.43 g/mol. Its IUPAC name is N-(4-butylphenyl)-N'-naphthalen-1-yloxamide.

Molecular Properties

Compound NameN-(4-butylphenyl)-N'-naphthalen-1-yloxamide
PubChem CID108502463
Molecular FormulaC22H22N2O2
Molecular Weight346.43 g/mol
Exact Mass346.17
IUPAC NameN-(4-butylphenyl)-N'-naphthalen-1-yloxamide
SMILESCCCCc1ccc(NC(=O)C(=O)Nc2cccc3ccccc23)cc1
InChIInChI=1S/C22H22N2O2/c1-2-3-7-16-12-14-18(15-13-16)23-21(25)22(26)24-20-11-6-9-17-8-4-5-10-19(17)20/h4-6,8-15H,2-3,7H2,1H3,(H,23,25)(H,24,26)
InChIKeyIXNNMRTXXNMAGY-UHFFFAOYSA-N
XLogP4.76
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.43
LogP ≤ 54.76
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,N'-bis(4-butylphenyl)oxamide
CID 3438016
(Z)-N-(4-butylphenyl)-2-cyano-3-(naphthalen-1-ylamino)prop-2-enamide
CID 108828196
N-(4-butylphenyl)-2-naphthalen-1-ylacetamide
CID 7314094
N'-(3-bromophenyl)-N-(4-butylphenyl)oxamide
CID 108502479
N-(3,4-dimethylphenyl)-N'-naphthalen-1-yloxamide
CID 108523122
N'-(4-butylphenyl)-N-pentyloxamide
CID 108502416
N-(4-butylphenyl)-4-phenylbutanamide
CID 7313944
1-(4-butylphenyl)-3-naphthalen-2-ylurea
CID 17265768
2-(benzylamino)-N-(4-butylphenyl)-2-sulfanylideneacetamide
CID 4005659
1-(4-butoxyphenyl)-3-naphthalen-1-ylurea
CID 4146159
N-(4-butylphenyl)-N'-[(1R)-1-phenylethyl]oxamide
CID 2290937
N-(4-butylphenyl)-N'-[3-(trifluoromethyl)phenyl]oxamide
CID 108501318

Frequently Asked Questions

What is the IUPAC name of N-(4-butylphenyl)-N'-naphthalen-1-yloxamide?
The IUPAC name of N-(4-butylphenyl)-N'-naphthalen-1-yloxamide (CID 108502463) is N-(4-butylphenyl)-N'-naphthalen-1-yloxamide.
What is the SMILES notation for N-(4-butylphenyl)-N'-naphthalen-1-yloxamide?
The canonical SMILES for N-(4-butylphenyl)-N'-naphthalen-1-yloxamide is CCCCc1ccc(NC(=O)C(=O)Nc2cccc3ccccc23)cc1.
What is the InChIKey of N-(4-butylphenyl)-N'-naphthalen-1-yloxamide?
The InChIKey is IXNNMRTXXNMAGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N2O2/c1-2-3-7-16-12-14-18(15-13-16)23-21(25)22(26)24-20-11-6-9-17-8-4-5-10-19(17)20/h4-6,8-15H,2-3,7H2,1H3,(H,23,25)(H,24,26).
What are the key properties of N-(4-butylphenyl)-N'-naphthalen-1-yloxamide?
N-(4-butylphenyl)-N'-naphthalen-1-yloxamide has a molecular weight of 346.43 g/mol, XLogP of 4.76, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-butylphenyl)-N'-naphthalen-1-yloxamide is sourced from PubChem (CID 108502463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).