N'-(3-acetylphenyl)-N-(2-hydroxypropyl)oxamide

C13H16N2O4 — CID 47225795

IUPACN'-(3-acetylphenyl)-N-(2-hydroxypropyl)oxamide
SMILESCC(=O)c1cccc(NC(=O)C(=O)NCC(C)O)c1
InChIInChI=1S/C13H16N2O4/c1-8(16)7-14-12(18)13(19)15-11-5-3-4-10(6-11)9(2)17/h3-6,8,16H,7H2,1-2H3,(H,14,18)(H,15,19)
InChIKeySZMUTKRINIXLBL-UHFFFAOYSA-N
MW264.28 g/mol
LogP0.32
Rot. Bonds4

About N'-(3-acetylphenyl)-N-(2-hydroxypropyl)oxamide

N'-(3-acetylphenyl)-N-(2-hydroxypropyl)oxamide (PubChem CID 47225795) has the molecular formula C13H16N2O4 and a molecular weight of 264.28 g/mol. Its IUPAC name is N'-(3-acetylphenyl)-N-(2-hydroxypropyl)oxamide.

Molecular Properties

Compound NameN'-(3-acetylphenyl)-N-(2-hydroxypropyl)oxamide
PubChem CID47225795
Molecular FormulaC13H16N2O4
Molecular Weight264.28 g/mol
Exact Mass264.11
IUPAC NameN'-(3-acetylphenyl)-N-(2-hydroxypropyl)oxamide
SMILESCC(=O)c1cccc(NC(=O)C(=O)NCC(C)O)c1
InChIInChI=1S/C13H16N2O4/c1-8(16)7-14-12(18)13(19)15-11-5-3-4-10(6-11)9(2)17/h3-6,8,16H,7H2,1-2H3,(H,14,18)(H,15,19)
InChIKeySZMUTKRINIXLBL-UHFFFAOYSA-N
XLogP0.32
TPSA95.50 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.28
LogP ≤ 50.32
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'-(3-acetylphenyl)-N-[2-(dimethylamino)ethyl]oxamide
CID 108515008
N'-(4-anilinophenyl)-N-(2-hydroxypropyl)oxamide
CID 108521320
N'-(3-bromophenyl)-N-(2-methylpropyl)oxamide
CID 2248971
N-[3-(2-hydroxypropylcarbamoylamino)phenyl]acetamide
CID 108884122
N-(2-hydroxypropyl)-3-(propan-2-ylcarbamoylamino)benzamide
CID 78869572
N'-(3-acetylphenyl)-N-[(3-methylphenyl)methyl]oxamide
CID 108984777
N-[2-(diethylamino)propyl]-N'-[3-(diethylcarbamoyl)phenyl]oxamide
CID 86997037
N'-(3-hydroxyphenyl)-N-(2-methylpropyl)oxamide
CID 45000278
1-(3-acetylphenyl)-3-[(2R)-3-hydroxy-2-methylpropyl]urea
CID 94819199
N'-(3-acetylphenyl)-N-(4-propan-2-yloxyphenyl)oxamide
CID 108987363
N'-(3-acetylphenyl)-N-[[3-(aminomethyl)phenyl]methyl]oxamide
CID 108514930
N'-(3-bromophenyl)-N-(3-hydroxy-2-methylpropyl)oxamide
CID 47669914

Frequently Asked Questions

What is the IUPAC name of N'-(3-acetylphenyl)-N-(2-hydroxypropyl)oxamide?
The IUPAC name of N'-(3-acetylphenyl)-N-(2-hydroxypropyl)oxamide (CID 47225795) is N'-(3-acetylphenyl)-N-(2-hydroxypropyl)oxamide.
What is the SMILES notation for N'-(3-acetylphenyl)-N-(2-hydroxypropyl)oxamide?
The canonical SMILES for N'-(3-acetylphenyl)-N-(2-hydroxypropyl)oxamide is CC(=O)c1cccc(NC(=O)C(=O)NCC(C)O)c1.
What is the InChIKey of N'-(3-acetylphenyl)-N-(2-hydroxypropyl)oxamide?
The InChIKey is SZMUTKRINIXLBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O4/c1-8(16)7-14-12(18)13(19)15-11-5-3-4-10(6-11)9(2)17/h3-6,8,16H,7H2,1-2H3,(H,14,18)(H,15,19).
What are the key properties of N'-(3-acetylphenyl)-N-(2-hydroxypropyl)oxamide?
N'-(3-acetylphenyl)-N-(2-hydroxypropyl)oxamide has a molecular weight of 264.28 g/mol, XLogP of 0.32, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(3-acetylphenyl)-N-(2-hydroxypropyl)oxamide is sourced from PubChem (CID 47225795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).