N'-(1-hydroxy-2-methylpropan-2-yl)-N-(3-methylphenyl)oxamide

C13H18N2O3 — CID 44996302

IUPACN'-(1-hydroxy-2-methylpropan-2-yl)-N-(3-methylphenyl)oxamide
SMILESCc1cccc(NC(=O)C(=O)NC(C)(C)CO)c1
InChIInChI=1S/C13H18N2O3/c1-9-5-4-6-10(7-9)14-11(17)12(18)15-13(2,3)8-16/h4-7,16H,8H2,1-3H3,(H,14,17)(H,15,18)
InChIKeyMBSSDQINTPFBOU-UHFFFAOYSA-N
MW250.30 g/mol
LogP0.82
Rot. Bonds3

About N'-(1-hydroxy-2-methylpropan-2-yl)-N-(3-methylphenyl)oxamide

N'-(1-hydroxy-2-methylpropan-2-yl)-N-(3-methylphenyl)oxamide (PubChem CID 44996302) has the molecular formula C13H18N2O3 and a molecular weight of 250.30 g/mol. Its IUPAC name is N'-(1-hydroxy-2-methylpropan-2-yl)-N-(3-methylphenyl)oxamide.

Molecular Properties

Compound NameN'-(1-hydroxy-2-methylpropan-2-yl)-N-(3-methylphenyl)oxamide
PubChem CID44996302
Molecular FormulaC13H18N2O3
Molecular Weight250.30 g/mol
Exact Mass250.13
IUPAC NameN'-(1-hydroxy-2-methylpropan-2-yl)-N-(3-methylphenyl)oxamide
SMILESCc1cccc(NC(=O)C(=O)NC(C)(C)CO)c1
InChIInChI=1S/C13H18N2O3/c1-9-5-4-6-10(7-9)14-11(17)12(18)15-13(2,3)8-16/h4-7,16H,8H2,1-3H3,(H,14,17)(H,15,18)
InChIKeyMBSSDQINTPFBOU-UHFFFAOYSA-N
XLogP0.82
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.30
LogP ≤ 50.82
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'-(1-hydroxy-2-methylpropan-2-yl)-N-(3-methoxyphenyl)oxamide
CID 44999402
2-[(1-hydroxy-2-methylpropan-2-yl)amino]-N-(3-methylphenyl)acetamide
CID 43389800
N-(3-hydroxyphenyl)-N'-(3-methylphenyl)oxamide
CID 10445826
N-(2-amino-4-methylphenyl)-N'-(1-hydroxy-2-methylpropan-2-yl)oxamide
CID 108532766
N-(3-bromophenyl)-N'-(2,4,4-trimethylpentan-2-yl)oxamide
CID 108526239
N-(2,6-diethylphenyl)-N'-(1-hydroxy-2-methylpropan-2-yl)oxamide
CID 108511574
N-(4-ethoxyphenyl)-N'-(3-methylphenyl)oxamide
CID 44996305
N-(2-hydroxy-2-phenylpropyl)-N'-(3-methylphenyl)oxamide
CID 121112034
N-(3-methylphenyl)acetamide
CID 10843
2-bromo-N-(3-methylphenyl)prop-2-enamide
CID 150882432
2,2-dimethyl-N-(3-methylphenyl)butanamide
CID 669985
N'-(2,6-difluorophenyl)-N-(3-methylphenyl)oxamide
CID 108515662

Frequently Asked Questions

What is the IUPAC name of N'-(1-hydroxy-2-methylpropan-2-yl)-N-(3-methylphenyl)oxamide?
The IUPAC name of N'-(1-hydroxy-2-methylpropan-2-yl)-N-(3-methylphenyl)oxamide (CID 44996302) is N'-(1-hydroxy-2-methylpropan-2-yl)-N-(3-methylphenyl)oxamide.
What is the SMILES notation for N'-(1-hydroxy-2-methylpropan-2-yl)-N-(3-methylphenyl)oxamide?
The canonical SMILES for N'-(1-hydroxy-2-methylpropan-2-yl)-N-(3-methylphenyl)oxamide is Cc1cccc(NC(=O)C(=O)NC(C)(C)CO)c1.
What is the InChIKey of N'-(1-hydroxy-2-methylpropan-2-yl)-N-(3-methylphenyl)oxamide?
The InChIKey is MBSSDQINTPFBOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O3/c1-9-5-4-6-10(7-9)14-11(17)12(18)15-13(2,3)8-16/h4-7,16H,8H2,1-3H3,(H,14,17)(H,15,18).
What are the key properties of N'-(1-hydroxy-2-methylpropan-2-yl)-N-(3-methylphenyl)oxamide?
N'-(1-hydroxy-2-methylpropan-2-yl)-N-(3-methylphenyl)oxamide has a molecular weight of 250.30 g/mol, XLogP of 0.82, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(1-hydroxy-2-methylpropan-2-yl)-N-(3-methylphenyl)oxamide is sourced from PubChem (CID 44996302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).