N-[2-(3-methoxyphenyl)ethyl]-N'-phenyloxamide

C17H18N2O3 — CID 44892117

IUPACN-[2-(3-methoxyphenyl)ethyl]-N'-phenyloxamide
SMILESCOc1cccc(CCNC(=O)C(=O)Nc2ccccc2)c1
InChIInChI=1S/C17H18N2O3/c1-22-15-9-5-6-13(12-15)10-11-18-16(20)17(21)19-14-7-3-2-4-8-14/h2-9,12H,10-11H2,1H3,(H,18,20)(H,19,21)
InChIKeyATZVUBUDDGLCOJ-UHFFFAOYSA-N
MW298.34 g/mol
LogP1.99
Rot. Bonds5

About N-[2-(3-methoxyphenyl)ethyl]-N'-phenyloxamide

N-[2-(3-methoxyphenyl)ethyl]-N'-phenyloxamide (PubChem CID 44892117) has the molecular formula C17H18N2O3 and a molecular weight of 298.34 g/mol. Its IUPAC name is N-[2-(3-methoxyphenyl)ethyl]-N'-phenyloxamide.

Molecular Properties

Compound NameN-[2-(3-methoxyphenyl)ethyl]-N'-phenyloxamide
PubChem CID44892117
Molecular FormulaC17H18N2O3
Molecular Weight298.34 g/mol
Exact Mass298.13
IUPAC NameN-[2-(3-methoxyphenyl)ethyl]-N'-phenyloxamide
SMILESCOc1cccc(CCNC(=O)C(=O)Nc2ccccc2)c1
InChIInChI=1S/C17H18N2O3/c1-22-15-9-5-6-13(12-15)10-11-18-16(20)17(21)19-14-7-3-2-4-8-14/h2-9,12H,10-11H2,1H3,(H,18,20)(H,19,21)
InChIKeyATZVUBUDDGLCOJ-UHFFFAOYSA-N
XLogP1.99
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.34
LogP ≤ 51.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-[2-(3-methoxyphenyl)ethyl]-N'-phenyloxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-N-[2-(3-methoxyphenyl)ethyl]-4-N-phenylbenzene-1,4-dicarboxamide
CID 109048051
N-[2-(3-methoxyphenyl)ethyl]-2-oxopropanamide
CID 110478240
N'-(2,6-difluorophenyl)-N-[2-(3-methoxyphenyl)ethyl]oxamide
CID 108985510
N-[2-(3-methoxyphenyl)ethyl]-N'-prop-2-enyloxamide
CID 44995985
N'-(3-chloro-4-fluorophenyl)-N-[2-(3-methoxyphenyl)ethyl]oxamide
CID 44998421
N-[2-(3-methoxyphenyl)ethyl]-N'-[2-(trifluoromethyl)phenyl]oxamide
CID 45000453
N'-[2-(3,4-dimethoxyphenyl)ethyl]-N-[2-(3-methoxyphenyl)ethyl]oxamide
CID 108985428
(Z)-4-[2-(3-methoxyphenyl)ethylamino]-2,3-dimethyl-4-oxobut-2-enoic acid
CID 107846613
phenyl N-[2-(3-methoxyphenyl)ethyl]carbamate
CID 110755565
2-(3-methoxyphenyl)-N-phenylacetamide
CID 2598681
2-N-[2-(3-methoxyphenyl)ethyl]-4-N-phenylpyridine-2,4-dicarboxamide
CID 109088169
N'-benzyl-N-[2-(3-methoxyphenyl)ethyl]-N'-phenyloxamide
CID 108985483

Frequently Asked Questions

What is the IUPAC name of N-[2-(3-methoxyphenyl)ethyl]-N'-phenyloxamide?
The IUPAC name of N-[2-(3-methoxyphenyl)ethyl]-N'-phenyloxamide (CID 44892117) is N-[2-(3-methoxyphenyl)ethyl]-N'-phenyloxamide.
What is the SMILES notation for N-[2-(3-methoxyphenyl)ethyl]-N'-phenyloxamide?
The canonical SMILES for N-[2-(3-methoxyphenyl)ethyl]-N'-phenyloxamide is COc1cccc(CCNC(=O)C(=O)Nc2ccccc2)c1.
What is the InChIKey of N-[2-(3-methoxyphenyl)ethyl]-N'-phenyloxamide?
The InChIKey is ATZVUBUDDGLCOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2O3/c1-22-15-9-5-6-13(12-15)10-11-18-16(20)17(21)19-14-7-3-2-4-8-14/h2-9,12H,10-11H2,1H3,(H,18,20)(H,19,21).
What are the key properties of N-[2-(3-methoxyphenyl)ethyl]-N'-phenyloxamide?
N-[2-(3-methoxyphenyl)ethyl]-N'-phenyloxamide has a molecular weight of 298.34 g/mol, XLogP of 1.99, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-methoxyphenyl)ethyl]-N'-phenyloxamide is sourced from PubChem (CID 44892117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).