N'-[1-(3,4-dimethoxyphenyl)ethyl]-N-(4-phenoxyphenyl)oxamide

C24H24N2O5 — CID 108510015

IUPACN'-[1-(3,4-dimethoxyphenyl)ethyl]-N-(4-phenoxyphenyl)oxamide
SMILESCOc1ccc(C(C)NC(=O)C(=O)Nc2ccc(Oc3ccccc3)cc2)cc1OC
InChIInChI=1S/C24H24N2O5/c1-16(17-9-14-21(29-2)22(15-17)30-3)25-23(27)24(28)26-18-10-12-20(13-11-18)31-19-7-5-4-6-8-19/h4-16H,1-3H3,(H,25,27)(H,26,28)
InChIKeyJDIRURDESLRGLG-UHFFFAOYSA-N
MW420.47 g/mol
LogP4.31
Rot. Bonds7

About N'-[1-(3,4-dimethoxyphenyl)ethyl]-N-(4-phenoxyphenyl)oxamide

N'-[1-(3,4-dimethoxyphenyl)ethyl]-N-(4-phenoxyphenyl)oxamide (PubChem CID 108510015) has the molecular formula C24H24N2O5 and a molecular weight of 420.47 g/mol. Its IUPAC name is N'-[1-(3,4-dimethoxyphenyl)ethyl]-N-(4-phenoxyphenyl)oxamide.

Molecular Properties

Compound NameN'-[1-(3,4-dimethoxyphenyl)ethyl]-N-(4-phenoxyphenyl)oxamide
PubChem CID108510015
Molecular FormulaC24H24N2O5
Molecular Weight420.47 g/mol
Exact Mass420.17
IUPAC NameN'-[1-(3,4-dimethoxyphenyl)ethyl]-N-(4-phenoxyphenyl)oxamide
SMILESCOc1ccc(C(C)NC(=O)C(=O)Nc2ccc(Oc3ccccc3)cc2)cc1OC
InChIInChI=1S/C24H24N2O5/c1-16(17-9-14-21(29-2)22(15-17)30-3)25-23(27)24(28)26-18-10-12-20(13-11-18)31-19-7-5-4-6-8-19/h4-16H,1-3H3,(H,25,27)(H,26,28)
InChIKeyJDIRURDESLRGLG-UHFFFAOYSA-N
XLogP4.31
TPSA85.89 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.47
LogP ≤ 54.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N'-[1-(3,4-dimethoxyphenyl)ethyl]-N-naphthalen-2-yloxamide
CID 108510137
N'-[1-(3,4-dimethoxyphenyl)ethyl]-N-(4-fluorophenyl)oxamide
CID 108510021
N'-[1-(3,4-dimethoxyphenyl)ethyl]-N-(1-phenylethyl)oxamide
CID 108507825
(Z)-2-cyano-3-[1-(3,4-dimethoxyphenyl)ethylamino]-N-(4-phenoxyphenyl)prop-2-enamide
CID 108849599
N'-[1-(3,4-dimethoxyphenyl)ethyl]-N-pyridin-3-yloxamide
CID 108510113
N'-[1-(3,4-dimethoxyphenyl)ethyl]-N-pyridin-2-yloxamide
CID 108510112
N-(4-methoxyphenyl)-N'-(4-phenoxyphenyl)oxamide
CID 44995857
N'-[1-(3-fluoro-4-methoxyphenyl)ethyl]-N-(4-methylphenyl)oxamide
CID 71901746
N'-[(1S)-1-(3-fluoro-4-methoxyphenyl)ethyl]-N-(4-methylphenyl)oxamide
CID 95166112
N'-(3,4-dimethoxyphenyl)-N-phenyloxamide
CID 44999686
N'-[1-(3,4-dimethoxyphenyl)ethyl]-N-(2-ethoxyphenyl)oxamide
CID 108510172
N-(2,5-dimethoxyphenyl)-N'-(1-phenylethyl)oxamide
CID 4058268

Frequently Asked Questions

What is the IUPAC name of N'-[1-(3,4-dimethoxyphenyl)ethyl]-N-(4-phenoxyphenyl)oxamide?
The IUPAC name of N'-[1-(3,4-dimethoxyphenyl)ethyl]-N-(4-phenoxyphenyl)oxamide (CID 108510015) is N'-[1-(3,4-dimethoxyphenyl)ethyl]-N-(4-phenoxyphenyl)oxamide.
What is the SMILES notation for N'-[1-(3,4-dimethoxyphenyl)ethyl]-N-(4-phenoxyphenyl)oxamide?
The canonical SMILES for N'-[1-(3,4-dimethoxyphenyl)ethyl]-N-(4-phenoxyphenyl)oxamide is COc1ccc(C(C)NC(=O)C(=O)Nc2ccc(Oc3ccccc3)cc2)cc1OC.
What is the InChIKey of N'-[1-(3,4-dimethoxyphenyl)ethyl]-N-(4-phenoxyphenyl)oxamide?
The InChIKey is JDIRURDESLRGLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N2O5/c1-16(17-9-14-21(29-2)22(15-17)30-3)25-23(27)24(28)26-18-10-12-20(13-11-18)31-19-7-5-4-6-8-19/h4-16H,1-3H3,(H,25,27)(H,26,28).
What are the key properties of N'-[1-(3,4-dimethoxyphenyl)ethyl]-N-(4-phenoxyphenyl)oxamide?
N'-[1-(3,4-dimethoxyphenyl)ethyl]-N-(4-phenoxyphenyl)oxamide has a molecular weight of 420.47 g/mol, XLogP of 4.31, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[1-(3,4-dimethoxyphenyl)ethyl]-N-(4-phenoxyphenyl)oxamide is sourced from PubChem (CID 108510015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).