N'-(3-acetylphenyl)-N-(4-propan-2-yloxyphenyl)oxamide

C19H20N2O4 — CID 108987363

IUPACN'-(3-acetylphenyl)-N-(4-propan-2-yloxyphenyl)oxamide
SMILESCC(=O)c1cccc(NC(=O)C(=O)Nc2ccc(OC(C)C)cc2)c1
InChIInChI=1S/C19H20N2O4/c1-12(2)25-17-9-7-15(8-10-17)20-18(23)19(24)21-16-6-4-5-14(11-16)13(3)22/h4-12H,1-3H3,(H,20,23)(H,21,24)
InChIKeyAUZQIVPHBHRRSF-UHFFFAOYSA-N
MW340.38 g/mol
LogP3.25
Rot. Bonds5

About N'-(3-acetylphenyl)-N-(4-propan-2-yloxyphenyl)oxamide

N'-(3-acetylphenyl)-N-(4-propan-2-yloxyphenyl)oxamide (PubChem CID 108987363) has the molecular formula C19H20N2O4 and a molecular weight of 340.38 g/mol. Its IUPAC name is N'-(3-acetylphenyl)-N-(4-propan-2-yloxyphenyl)oxamide.

Molecular Properties

Compound NameN'-(3-acetylphenyl)-N-(4-propan-2-yloxyphenyl)oxamide
PubChem CID108987363
Molecular FormulaC19H20N2O4
Molecular Weight340.38 g/mol
Exact Mass340.14
IUPAC NameN'-(3-acetylphenyl)-N-(4-propan-2-yloxyphenyl)oxamide
SMILESCC(=O)c1cccc(NC(=O)C(=O)Nc2ccc(OC(C)C)cc2)c1
InChIInChI=1S/C19H20N2O4/c1-12(2)25-17-9-7-15(8-10-17)20-18(23)19(24)21-16-6-4-5-14(11-16)13(3)22/h4-12H,1-3H3,(H,20,23)(H,21,24)
InChIKeyAUZQIVPHBHRRSF-UHFFFAOYSA-N
XLogP3.25
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.38
LogP ≤ 53.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-N'-(3-acetylphenyl)-1-N-(4-propan-2-yloxyphenyl)cyclopropane-1,1-dicarboxamide
CID 108983261
N-(4-propan-2-yloxyphenyl)-N'-[3-(trifluoromethyl)phenyl]oxamide
CID 108987361
[(2R)-1-(3-acetylanilino)-1-oxopropan-2-yl] 4-propan-2-yloxybenzoate
CID 2603355
3-N-(3-methylphenyl)-1-N-(4-propan-2-yloxyphenyl)benzene-1,3-dicarboxamide
CID 109056925
methyl 3-[[2-(4-acetylanilino)-2-oxoacetyl]amino]benzoate
CID 108987464
4-propan-2-yloxy-N-(3-propan-2-yloxyphenyl)benzamide
CID 17154760
2-oxo-2-(4-propan-2-yloxyanilino)acetic acid
CID 28710622
N-(3-acetylphenyl)-N'-[1-(4-methoxyphenyl)ethyl]oxamide
CID 108510255
3-N-(4-fluorophenyl)-1-N-(4-propan-2-yloxyphenyl)benzene-1,3-dicarboxamide
CID 109057469
N-[(Z)-1-(3-acetamidophenyl)ethylideneamino]-4-propan-2-yloxybenzamide
CID 9215676
N'-(3-acetylphenyl)-N-(2-hydroxypropyl)oxamide
CID 47225795
N'-(3-acetylphenyl)-N-[4-(diethylamino)phenyl]oxamide
CID 108515024

Frequently Asked Questions

What is the IUPAC name of N'-(3-acetylphenyl)-N-(4-propan-2-yloxyphenyl)oxamide?
The IUPAC name of N'-(3-acetylphenyl)-N-(4-propan-2-yloxyphenyl)oxamide (CID 108987363) is N'-(3-acetylphenyl)-N-(4-propan-2-yloxyphenyl)oxamide.
What is the SMILES notation for N'-(3-acetylphenyl)-N-(4-propan-2-yloxyphenyl)oxamide?
The canonical SMILES for N'-(3-acetylphenyl)-N-(4-propan-2-yloxyphenyl)oxamide is CC(=O)c1cccc(NC(=O)C(=O)Nc2ccc(OC(C)C)cc2)c1.
What is the InChIKey of N'-(3-acetylphenyl)-N-(4-propan-2-yloxyphenyl)oxamide?
The InChIKey is AUZQIVPHBHRRSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N2O4/c1-12(2)25-17-9-7-15(8-10-17)20-18(23)19(24)21-16-6-4-5-14(11-16)13(3)22/h4-12H,1-3H3,(H,20,23)(H,21,24).
What are the key properties of N'-(3-acetylphenyl)-N-(4-propan-2-yloxyphenyl)oxamide?
N'-(3-acetylphenyl)-N-(4-propan-2-yloxyphenyl)oxamide has a molecular weight of 340.38 g/mol, XLogP of 3.25, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(3-acetylphenyl)-N-(4-propan-2-yloxyphenyl)oxamide is sourced from PubChem (CID 108987363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).