N'-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-N-(4-methylphenyl)oxamide

C13H18N2O5 — CID 107847359

IUPACN'-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-N-(4-methylphenyl)oxamide
SMILESCc1ccc(NC(=O)C(=O)NC(CO)(CO)CO)cc1
InChIInChI=1S/C13H18N2O5/c1-9-2-4-10(5-3-9)14-11(19)12(20)15-13(6-16,7-17)8-18/h2-5,16-18H,6-8H2,1H3,(H,14,19)(H,15,20)
InChIKeyVUYXPEQIEWBBSX-UHFFFAOYSA-N
MW282.30 g/mol
LogP-1.23
Rot. Bonds5

About N'-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-N-(4-methylphenyl)oxamide

N'-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-N-(4-methylphenyl)oxamide (PubChem CID 107847359) has the molecular formula C13H18N2O5 and a molecular weight of 282.30 g/mol. Its IUPAC name is N'-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-N-(4-methylphenyl)oxamide.

Molecular Properties

Compound NameN'-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-N-(4-methylphenyl)oxamide
PubChem CID107847359
Molecular FormulaC13H18N2O5
Molecular Weight282.30 g/mol
Exact Mass282.12
IUPAC NameN'-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-N-(4-methylphenyl)oxamide
SMILESCc1ccc(NC(=O)C(=O)NC(CO)(CO)CO)cc1
InChIInChI=1S/C13H18N2O5/c1-9-2-4-10(5-3-9)14-11(19)12(20)15-13(6-16,7-17)8-18/h2-5,16-18H,6-8H2,1H3,(H,14,19)(H,15,20)
InChIKeyVUYXPEQIEWBBSX-UHFFFAOYSA-N
XLogP-1.23
TPSA118.89 Ų
H-Bond Donors5
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.30
LogP ≤ 5-1.23
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Related Compounds

N'-(2-cyclopropyl-1-hydroxypropan-2-yl)-N-(4-methylphenyl)oxamide
CID 111975992
N'-[1-hydroxy-2-(hydroxymethyl)butan-2-yl]-N-[4-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]oxamide
CID 51043020
4-methyl-4-[[2-(4-methylanilino)-2-oxoacetyl]amino]pentanoic acid
CID 62041566
N'-(4-ethoxyphenyl)-N-(4-methylphenyl)oxamide
CID 44995934
N-(3-hydroxypropyl)-N'-(4-methylphenyl)oxamide
CID 2247723
N-cycloheptyl-N'-(4-methylphenyl)oxamide
CID 2287607
N-cyclododecyl-N'-(4-methylphenyl)oxamide
CID 2924110
N-cyano-N'-(4-methylphenyl)oxamide
CID 79195305
N-(2-aminoethyl)-N'-(4-methylphenyl)oxamide
CID 43315800
N'-[3-(hydroxymethyl)phenyl]-N-(4-methylphenyl)oxamide
CID 60659461
N-(6-hydroxyhexyl)-N'-(4-methylphenyl)oxamide
CID 103917957
N'-[1-(hydroxymethyl)cyclopropyl]-N-(4-methylphenyl)oxamide
CID 113344704

Frequently Asked Questions

What is the IUPAC name of N'-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-N-(4-methylphenyl)oxamide?
The IUPAC name of N'-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-N-(4-methylphenyl)oxamide (CID 107847359) is N'-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-N-(4-methylphenyl)oxamide.
What is the SMILES notation for N'-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-N-(4-methylphenyl)oxamide?
The canonical SMILES for N'-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-N-(4-methylphenyl)oxamide is Cc1ccc(NC(=O)C(=O)NC(CO)(CO)CO)cc1.
What is the InChIKey of N'-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-N-(4-methylphenyl)oxamide?
The InChIKey is VUYXPEQIEWBBSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O5/c1-9-2-4-10(5-3-9)14-11(19)12(20)15-13(6-16,7-17)8-18/h2-5,16-18H,6-8H2,1H3,(H,14,19)(H,15,20).
What are the key properties of N'-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-N-(4-methylphenyl)oxamide?
N'-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-N-(4-methylphenyl)oxamide has a molecular weight of 282.30 g/mol, XLogP of -1.23, 5 rotatable bonds, 5 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-N-(4-methylphenyl)oxamide is sourced from PubChem (CID 107847359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).