N-(2-butan-2-ylphenyl)-N'-(5-hydroxynaphthalen-1-yl)oxamide

C22H22N2O3 — CID 108509432

IUPACN-(2-butan-2-ylphenyl)-N'-(5-hydroxynaphthalen-1-yl)oxamide
SMILESCCC(C)c1ccccc1NC(=O)C(=O)Nc1cccc2c(O)cccc12
InChIInChI=1S/C22H22N2O3/c1-3-14(2)15-8-4-5-11-18(15)23-21(26)22(27)24-19-12-6-10-17-16(19)9-7-13-20(17)25/h4-14,25H,3H2,1-2H3,(H,23,26)(H,24,27)
InChIKeyPNHPPSLPXFJEBV-UHFFFAOYSA-N
MW362.43 g/mol
LogP4.64
Rot. Bonds4

About N-(2-butan-2-ylphenyl)-N'-(5-hydroxynaphthalen-1-yl)oxamide

N-(2-butan-2-ylphenyl)-N'-(5-hydroxynaphthalen-1-yl)oxamide (PubChem CID 108509432) has the molecular formula C22H22N2O3 and a molecular weight of 362.43 g/mol. Its IUPAC name is N-(2-butan-2-ylphenyl)-N'-(5-hydroxynaphthalen-1-yl)oxamide.

Molecular Properties

Compound NameN-(2-butan-2-ylphenyl)-N'-(5-hydroxynaphthalen-1-yl)oxamide
PubChem CID108509432
Molecular FormulaC22H22N2O3
Molecular Weight362.43 g/mol
Exact Mass362.16
IUPAC NameN-(2-butan-2-ylphenyl)-N'-(5-hydroxynaphthalen-1-yl)oxamide
SMILESCCC(C)c1ccccc1NC(=O)C(=O)Nc1cccc2c(O)cccc12
InChIInChI=1S/C22H22N2O3/c1-3-14(2)15-8-4-5-11-18(15)23-21(26)22(27)24-19-12-6-10-17-16(19)9-7-13-20(17)25/h4-14,25H,3H2,1-2H3,(H,23,26)(H,24,27)
InChIKeyPNHPPSLPXFJEBV-UHFFFAOYSA-N
XLogP4.64
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.43
LogP ≤ 54.64
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-butan-2-ylphenyl)-N'-(2,3-dimethylphenyl)oxamide
CID 108515395
N-[2-[(2R)-butan-2-yl]phenyl]acetamide
CID 959734
N'-(2-butan-2-ylphenyl)-N-(4-hydroxy-2-methylphenyl)oxamide
CID 108509668
N'-naphthalen-1-yl-N-(2-propan-2-ylphenyl)oxamide
CID 108500558
N'-(2-butan-2-ylphenyl)-N-[4-(trifluoromethyl)phenyl]oxamide
CID 108532679
N-[2-[(2S)-butan-2-yl]phenyl]-2-methylpropanamide
CID 959786
ethyl 2-(2-butan-2-ylanilino)-2-oxoacetate
CID 3687050
ethyl 2-[[2-(2-butan-2-ylanilino)-2-oxoacetyl]amino]benzoate
CID 108501945
N-(2-bromo-4-methylphenyl)-N'-(2-butan-2-ylphenyl)oxamide
CID 108532602
N-(2-butan-2-ylphenyl)-N'-(5-chloro-2-methylphenyl)oxamide
CID 108511864
3-(2-butan-2-ylphenyl)-1,1-dimethylurea
CID 2974418
N-[2-[(2R)-butan-2-yl]phenyl]benzamide
CID 849169

Frequently Asked Questions

What is the IUPAC name of N-(2-butan-2-ylphenyl)-N'-(5-hydroxynaphthalen-1-yl)oxamide?
The IUPAC name of N-(2-butan-2-ylphenyl)-N'-(5-hydroxynaphthalen-1-yl)oxamide (CID 108509432) is N-(2-butan-2-ylphenyl)-N'-(5-hydroxynaphthalen-1-yl)oxamide.
What is the SMILES notation for N-(2-butan-2-ylphenyl)-N'-(5-hydroxynaphthalen-1-yl)oxamide?
The canonical SMILES for N-(2-butan-2-ylphenyl)-N'-(5-hydroxynaphthalen-1-yl)oxamide is CCC(C)c1ccccc1NC(=O)C(=O)Nc1cccc2c(O)cccc12.
What is the InChIKey of N-(2-butan-2-ylphenyl)-N'-(5-hydroxynaphthalen-1-yl)oxamide?
The InChIKey is PNHPPSLPXFJEBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N2O3/c1-3-14(2)15-8-4-5-11-18(15)23-21(26)22(27)24-19-12-6-10-17-16(19)9-7-13-20(17)25/h4-14,25H,3H2,1-2H3,(H,23,26)(H,24,27).
What are the key properties of N-(2-butan-2-ylphenyl)-N'-(5-hydroxynaphthalen-1-yl)oxamide?
N-(2-butan-2-ylphenyl)-N'-(5-hydroxynaphthalen-1-yl)oxamide has a molecular weight of 362.43 g/mol, XLogP of 4.64, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-butan-2-ylphenyl)-N'-(5-hydroxynaphthalen-1-yl)oxamide is sourced from PubChem (CID 108509432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).