N-(4-hydroxy-2-methylbutyl)-N'-(2-phenylphenyl)oxamide

C19H22N2O3 — CID 111490995

IUPACN-(4-hydroxy-2-methylbutyl)-N'-(2-phenylphenyl)oxamide
SMILESCC(CCO)CNC(=O)C(=O)Nc1ccccc1-c1ccccc1
InChIInChI=1S/C19H22N2O3/c1-14(11-12-22)13-20-18(23)19(24)21-17-10-6-5-9-16(17)15-7-3-2-4-8-15/h2-10,14,22H,11-13H2,1H3,(H,20,23)(H,21,24)
InChIKeyCKTHNVXFWLCDRT-UHFFFAOYSA-N
MW326.40 g/mol
LogP2.43
Rot. Bonds6

About N-(4-hydroxy-2-methylbutyl)-N'-(2-phenylphenyl)oxamide

N-(4-hydroxy-2-methylbutyl)-N'-(2-phenylphenyl)oxamide (PubChem CID 111490995) has the molecular formula C19H22N2O3 and a molecular weight of 326.40 g/mol. Its IUPAC name is N-(4-hydroxy-2-methylbutyl)-N'-(2-phenylphenyl)oxamide.

Molecular Properties

Compound NameN-(4-hydroxy-2-methylbutyl)-N'-(2-phenylphenyl)oxamide
PubChem CID111490995
Molecular FormulaC19H22N2O3
Molecular Weight326.40 g/mol
Exact Mass326.16
IUPAC NameN-(4-hydroxy-2-methylbutyl)-N'-(2-phenylphenyl)oxamide
SMILESCC(CCO)CNC(=O)C(=O)Nc1ccccc1-c1ccccc1
InChIInChI=1S/C19H22N2O3/c1-14(11-12-22)13-20-18(23)19(24)21-17-10-6-5-9-16(17)15-7-3-2-4-8-15/h2-10,14,22H,11-13H2,1H3,(H,20,23)(H,21,24)
InChIKeyCKTHNVXFWLCDRT-UHFFFAOYSA-N
XLogP2.43
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.40
LogP ≤ 52.43
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-(4-hydroxy-2-methylbutyl)-N'-[2-(2,2,2-trifluoroethyl)phenyl]oxamide
CID 111490979
1-(4-hydroxy-2-methylbutyl)-3-(4-phenylphenyl)urea
CID 111472820
N'-(5-bromo-2-methylphenyl)-N-(4-hydroxy-2-methylbutyl)oxamide
CID 111491045
3-methyl-N,N'-bis(2-phenylphenyl)hexanediamide
CID 112830357
1-(4-hydroxy-2-methylbutyl)-3-[1-(4-phenylphenyl)ethyl]urea
CID 111503985
1-(2-bromophenyl)-3-(4-hydroxy-2-methylbutyl)urea
CID 111472557
1-(4-hydroxy-2-methylbutyl)-3-(1-phenylethyl)urea
CID 111503751
1-(4-hydroxy-2-methylbutyl)-3-[2-(trifluoromethyl)phenyl]urea
CID 66106705
N-(2-phenylphenyl)acetamide;propan-1-ol
CID 175030859
2-[[2-[[(2R)-2-aminopropyl]amino]-2-oxoacetyl]amino]benzoic acid
CID 139060617
N-[(1-hydroxycyclobutyl)methyl]-N'-(2-phenylphenyl)oxamide
CID 111435548
1-(2-methylpropyl)-3-(2-phenylphenyl)thiourea
CID 19711806

Frequently Asked Questions

What is the IUPAC name of N-(4-hydroxy-2-methylbutyl)-N'-(2-phenylphenyl)oxamide?
The IUPAC name of N-(4-hydroxy-2-methylbutyl)-N'-(2-phenylphenyl)oxamide (CID 111490995) is N-(4-hydroxy-2-methylbutyl)-N'-(2-phenylphenyl)oxamide.
What is the SMILES notation for N-(4-hydroxy-2-methylbutyl)-N'-(2-phenylphenyl)oxamide?
The canonical SMILES for N-(4-hydroxy-2-methylbutyl)-N'-(2-phenylphenyl)oxamide is CC(CCO)CNC(=O)C(=O)Nc1ccccc1-c1ccccc1.
What is the InChIKey of N-(4-hydroxy-2-methylbutyl)-N'-(2-phenylphenyl)oxamide?
The InChIKey is CKTHNVXFWLCDRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O3/c1-14(11-12-22)13-20-18(23)19(24)21-17-10-6-5-9-16(17)15-7-3-2-4-8-15/h2-10,14,22H,11-13H2,1H3,(H,20,23)(H,21,24).
What are the key properties of N-(4-hydroxy-2-methylbutyl)-N'-(2-phenylphenyl)oxamide?
N-(4-hydroxy-2-methylbutyl)-N'-(2-phenylphenyl)oxamide has a molecular weight of 326.40 g/mol, XLogP of 2.43, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-hydroxy-2-methylbutyl)-N'-(2-phenylphenyl)oxamide is sourced from PubChem (CID 111490995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).