N-(3-acetylphenyl)-N'-[1-(4-methoxyphenyl)ethyl]oxamide

C19H20N2O4 — CID 108510255

IUPACN-(3-acetylphenyl)-N'-[1-(4-methoxyphenyl)ethyl]oxamide
SMILESCOc1ccc(C(C)NC(=O)C(=O)Nc2cccc(C(C)=O)c2)cc1
InChIInChI=1S/C19H20N2O4/c1-12(14-7-9-17(25-3)10-8-14)20-18(23)19(24)21-16-6-4-5-15(11-16)13(2)22/h4-12H,1-3H3,(H,20,23)(H,21,24)
InChIKeyRQCOIBPQHLUMGZ-UHFFFAOYSA-N
MW340.38 g/mol
LogP2.71
Rot. Bonds5

About N-(3-acetylphenyl)-N'-[1-(4-methoxyphenyl)ethyl]oxamide

N-(3-acetylphenyl)-N'-[1-(4-methoxyphenyl)ethyl]oxamide (PubChem CID 108510255) has the molecular formula C19H20N2O4 and a molecular weight of 340.38 g/mol. Its IUPAC name is N-(3-acetylphenyl)-N'-[1-(4-methoxyphenyl)ethyl]oxamide.

Molecular Properties

Compound NameN-(3-acetylphenyl)-N'-[1-(4-methoxyphenyl)ethyl]oxamide
PubChem CID108510255
Molecular FormulaC19H20N2O4
Molecular Weight340.38 g/mol
Exact Mass340.14
IUPAC NameN-(3-acetylphenyl)-N'-[1-(4-methoxyphenyl)ethyl]oxamide
SMILESCOc1ccc(C(C)NC(=O)C(=O)Nc2cccc(C(C)=O)c2)cc1
InChIInChI=1S/C19H20N2O4/c1-12(14-7-9-17(25-3)10-8-14)20-18(23)19(24)21-16-6-4-5-15(11-16)13(2)22/h4-12H,1-3H3,(H,20,23)(H,21,24)
InChIKeyRQCOIBPQHLUMGZ-UHFFFAOYSA-N
XLogP2.71
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 ≤ 52.71
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-(3-acetylphenyl)-3-[(1S)-2-hydroxy-1-(4-methoxyphenyl)ethyl]urea
CID 95289623
N'-(3-acetylphenyl)-N-(4-propan-2-yloxyphenyl)oxamide
CID 108987363
ethyl 3-[[(1R)-1-(4-methoxyphenyl)ethyl]carbamothioylamino]benzoate
CID 100643341
N'-[(1S)-1-(2-hydroxy-5-methoxyphenyl)ethyl]-N-(3-methoxyphenyl)oxamide
CID 95977791
3-[[2-(4-methoxyphenyl)acetyl]amino]-N-(1-phenylethyl)benzamide
CID 43877752
1-[3-(4-tert-butylbenzoyl)phenyl]-3-[(1R)-1-(4-methoxyphenyl)ethyl]thiourea
CID 100643661
N-(3-bromophenyl)-N'-[(1S)-1-phenylethyl]oxamide
CID 2249399
N-(3-acetylphenyl)-4-(4-methoxyphenoxy)benzamide
CID 16651157
1-[(1R)-1-(4-methoxyphenyl)ethyl]-3-phenylurea
CID 28958845
N-(4-chloro-2-methylphenyl)-N'-[1-(4-methoxyphenyl)ethyl]oxamide
CID 108510319
[(2R)-1-(3-acetylanilino)-1-oxopropan-2-yl] (2S)-2-(6-methoxynaphthalen-2-yl)propanoate
CID 8952069
N'-[1-(3,4-dimethoxyphenyl)ethyl]-N-naphthalen-2-yloxamide
CID 108510137

Frequently Asked Questions

What is the IUPAC name of N-(3-acetylphenyl)-N'-[1-(4-methoxyphenyl)ethyl]oxamide?
The IUPAC name of N-(3-acetylphenyl)-N'-[1-(4-methoxyphenyl)ethyl]oxamide (CID 108510255) is N-(3-acetylphenyl)-N'-[1-(4-methoxyphenyl)ethyl]oxamide.
What is the SMILES notation for N-(3-acetylphenyl)-N'-[1-(4-methoxyphenyl)ethyl]oxamide?
The canonical SMILES for N-(3-acetylphenyl)-N'-[1-(4-methoxyphenyl)ethyl]oxamide is COc1ccc(C(C)NC(=O)C(=O)Nc2cccc(C(C)=O)c2)cc1.
What is the InChIKey of N-(3-acetylphenyl)-N'-[1-(4-methoxyphenyl)ethyl]oxamide?
The InChIKey is RQCOIBPQHLUMGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N2O4/c1-12(14-7-9-17(25-3)10-8-14)20-18(23)19(24)21-16-6-4-5-15(11-16)13(2)22/h4-12H,1-3H3,(H,20,23)(H,21,24).
What are the key properties of N-(3-acetylphenyl)-N'-[1-(4-methoxyphenyl)ethyl]oxamide?
N-(3-acetylphenyl)-N'-[1-(4-methoxyphenyl)ethyl]oxamide has a molecular weight of 340.38 g/mol, XLogP of 2.71, 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'-[1-(4-methoxyphenyl)ethyl]oxamide is sourced from PubChem (CID 108510255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).