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

C13H18N2O4 — CID 44999402

IUPACN'-(1-hydroxy-2-methylpropan-2-yl)-N-(3-methoxyphenyl)oxamide
SMILESCOc1cccc(NC(=O)C(=O)NC(C)(C)CO)c1
InChIInChI=1S/C13H18N2O4/c1-13(2,8-16)15-12(18)11(17)14-9-5-4-6-10(7-9)19-3/h4-7,16H,8H2,1-3H3,(H,14,17)(H,15,18)
InChIKeyVKNWXHWKOCACLB-UHFFFAOYSA-N
MW266.30 g/mol
LogP0.52
Rot. Bonds4

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

N'-(1-hydroxy-2-methylpropan-2-yl)-N-(3-methoxyphenyl)oxamide (PubChem CID 44999402) has the molecular formula C13H18N2O4 and a molecular weight of 266.30 g/mol. Its IUPAC name is N'-(1-hydroxy-2-methylpropan-2-yl)-N-(3-methoxyphenyl)oxamide.

Molecular Properties

Compound NameN'-(1-hydroxy-2-methylpropan-2-yl)-N-(3-methoxyphenyl)oxamide
PubChem CID44999402
Molecular FormulaC13H18N2O4
Molecular Weight266.30 g/mol
Exact Mass266.13
IUPAC NameN'-(1-hydroxy-2-methylpropan-2-yl)-N-(3-methoxyphenyl)oxamide
SMILESCOc1cccc(NC(=O)C(=O)NC(C)(C)CO)c1
InChIInChI=1S/C13H18N2O4/c1-13(2,8-16)15-12(18)11(17)14-9-5-4-6-10(7-9)19-3/h4-7,16H,8H2,1-3H3,(H,14,17)(H,15,18)
InChIKeyVKNWXHWKOCACLB-UHFFFAOYSA-N
XLogP0.52
TPSA87.66 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.30
LogP ≤ 50.52
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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-methylphenyl)oxamide
CID 44996302
N-(3-hydroxypropyl)-N'-(3-methoxyphenyl)oxamide
CID 2247264
N-cyclopentyl-N'-(3-methoxyphenyl)oxamide
CID 7541556
N'-(3-bromophenyl)-N-(3-methoxyphenyl)oxamide
CID 108519610
3-amino-N-(3-methoxyphenyl)-3-methylbutanamide
CID 64683747
N-(cyanomethyl)-N'-(3-methoxyphenyl)oxamide
CID 43315934
1-(1-hydroxy-2-methylpropan-2-yl)-3-(3-prop-2-enoxyphenyl)urea
CID 111976896
N-(5-hydroxypentyl)-N'-(3-methoxyphenyl)oxamide
CID 108519583
N'-(3-methoxyphenyl)-N-(4-phenoxyphenyl)oxamide
CID 44999403
N'-butan-2-yl-N-(3-methoxyphenyl)oxamide
CID 44999404
methane;N-(3-methoxyphenyl)acetamide
CID 161026095
N-(3-methoxyphenyl)-2-(trifluoromethyl)prop-2-enamide
CID 91220248

Frequently Asked Questions

What is the IUPAC name of N'-(1-hydroxy-2-methylpropan-2-yl)-N-(3-methoxyphenyl)oxamide?
The IUPAC name of N'-(1-hydroxy-2-methylpropan-2-yl)-N-(3-methoxyphenyl)oxamide (CID 44999402) is N'-(1-hydroxy-2-methylpropan-2-yl)-N-(3-methoxyphenyl)oxamide.
What is the SMILES notation for N'-(1-hydroxy-2-methylpropan-2-yl)-N-(3-methoxyphenyl)oxamide?
The canonical SMILES for N'-(1-hydroxy-2-methylpropan-2-yl)-N-(3-methoxyphenyl)oxamide is COc1cccc(NC(=O)C(=O)NC(C)(C)CO)c1.
What is the InChIKey of N'-(1-hydroxy-2-methylpropan-2-yl)-N-(3-methoxyphenyl)oxamide?
The InChIKey is VKNWXHWKOCACLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O4/c1-13(2,8-16)15-12(18)11(17)14-9-5-4-6-10(7-9)19-3/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-methoxyphenyl)oxamide?
N'-(1-hydroxy-2-methylpropan-2-yl)-N-(3-methoxyphenyl)oxamide has a molecular weight of 266.30 g/mol, XLogP of 0.52, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(1-hydroxy-2-methylpropan-2-yl)-N-(3-methoxyphenyl)oxamide is sourced from PubChem (CID 44999402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).