N-(3-acetamidophenyl)-N'-(3,4,5-trimethoxyphenyl)oxamide

C19H21N3O6 — CID 108987482

IUPACN-(3-acetamidophenyl)-N'-(3,4,5-trimethoxyphenyl)oxamide
SMILESCOc1cc(NC(=O)C(=O)Nc2cccc(NC(C)=O)c2)cc(OC)c1OC
InChIInChI=1S/C19H21N3O6/c1-11(23)20-12-6-5-7-13(8-12)21-18(24)19(25)22-14-9-15(26-2)17(28-4)16(10-14)27-3/h5-10H,1-4H3,(H,20,23)(H,21,24)(H,22,25)
InChIKeyRPKBCSSQAGBFMC-UHFFFAOYSA-N
MW387.39 g/mol
LogP2.25
Rot. Bonds6

About N-(3-acetamidophenyl)-N'-(3,4,5-trimethoxyphenyl)oxamide

N-(3-acetamidophenyl)-N'-(3,4,5-trimethoxyphenyl)oxamide (PubChem CID 108987482) has the molecular formula C19H21N3O6 and a molecular weight of 387.39 g/mol. Its IUPAC name is N-(3-acetamidophenyl)-N'-(3,4,5-trimethoxyphenyl)oxamide.

Molecular Properties

Compound NameN-(3-acetamidophenyl)-N'-(3,4,5-trimethoxyphenyl)oxamide
PubChem CID108987482
Molecular FormulaC19H21N3O6
Molecular Weight387.39 g/mol
Exact Mass387.14
IUPAC NameN-(3-acetamidophenyl)-N'-(3,4,5-trimethoxyphenyl)oxamide
SMILESCOc1cc(NC(=O)C(=O)Nc2cccc(NC(C)=O)c2)cc(OC)c1OC
InChIInChI=1S/C19H21N3O6/c1-11(23)20-12-6-5-7-13(8-12)21-18(24)19(25)22-14-9-15(26-2)17(28-4)16(10-14)27-3/h5-10H,1-4H3,(H,20,23)(H,21,24)(H,22,25)
InChIKeyRPKBCSSQAGBFMC-UHFFFAOYSA-N
XLogP2.25
TPSA114.99 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.39
LogP ≤ 52.25
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

N-(3-chlorophenyl)-N'-(3,4,5-trimethoxyphenyl)oxamide
CID 108987070
N-(4-acetylphenyl)-N'-(3,4,5-trimethoxyphenyl)oxamide
CID 108987472
3,4,5-trimethoxy-N-[3-[(3,4,5-trimethoxybenzoyl)amino]phenyl]benzamide
CID 4578304
N-(3-acetamidophenyl)-3-(3,4,5-trimethoxyphenyl)prop-2-enamide
CID 1320377
N'-(3-acetamidophenyl)-N-phenyloxamide
CID 45001278
N-[2-(3-acetamidoanilino)-2-oxoethyl]-3,4,5-trimethoxybenzamide
CID 27259117
N-[3-[(E)-3-oxo-3-(3,4,5-trimethoxyphenyl)prop-1-enyl]phenyl]acetamide
CID 14763363
N-(2,4-dimethoxyphenyl)-N'-(3,4,5-trimethoxyphenyl)oxamide
CID 108987426
N'-(3,4-dimethoxyphenyl)-N-phenyloxamide
CID 44999686
N-(4-propan-2-yloxyphenyl)-N'-(3,4,5-trimethoxyphenyl)oxamide
CID 108987392
N-(2-phenylethyl)-N'-(3,4,5-trimethoxyphenyl)oxamide
CID 108985137
N'-(3-acetamidophenyl)-N-(3-chlorophenyl)oxamide
CID 108516501

Frequently Asked Questions

What is the IUPAC name of N-(3-acetamidophenyl)-N'-(3,4,5-trimethoxyphenyl)oxamide?
The IUPAC name of N-(3-acetamidophenyl)-N'-(3,4,5-trimethoxyphenyl)oxamide (CID 108987482) is N-(3-acetamidophenyl)-N'-(3,4,5-trimethoxyphenyl)oxamide.
What is the SMILES notation for N-(3-acetamidophenyl)-N'-(3,4,5-trimethoxyphenyl)oxamide?
The canonical SMILES for N-(3-acetamidophenyl)-N'-(3,4,5-trimethoxyphenyl)oxamide is COc1cc(NC(=O)C(=O)Nc2cccc(NC(C)=O)c2)cc(OC)c1OC.
What is the InChIKey of N-(3-acetamidophenyl)-N'-(3,4,5-trimethoxyphenyl)oxamide?
The InChIKey is RPKBCSSQAGBFMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3O6/c1-11(23)20-12-6-5-7-13(8-12)21-18(24)19(25)22-14-9-15(26-2)17(28-4)16(10-14)27-3/h5-10H,1-4H3,(H,20,23)(H,21,24)(H,22,25).
What are the key properties of N-(3-acetamidophenyl)-N'-(3,4,5-trimethoxyphenyl)oxamide?
N-(3-acetamidophenyl)-N'-(3,4,5-trimethoxyphenyl)oxamide has a molecular weight of 387.39 g/mol, XLogP of 2.25, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-acetamidophenyl)-N'-(3,4,5-trimethoxyphenyl)oxamide is sourced from PubChem (CID 108987482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).