N,N'-bis[(4-ethoxyphenyl)methyl]oxamide

C20H24N2O4 — CID 125144939

IUPACN,N'-bis[(4-ethoxyphenyl)methyl]oxamide
SMILESCCOc1ccc(CNC(=O)C(=O)NCc2ccc(OCC)cc2)cc1
InChIInChI=1S/C20H24N2O4/c1-3-25-17-9-5-15(6-10-17)13-21-19(23)20(24)22-14-16-7-11-18(12-8-16)26-4-2/h5-12H,3-4,13-14H2,1-2H3,(H,21,23)(H,22,24)
InChIKeyLWMUKBGUFJTQKJ-UHFFFAOYSA-N
MW356.42 g/mol
LogP2.42
Rot. Bonds8

About N,N'-bis[(4-ethoxyphenyl)methyl]oxamide

N,N'-bis[(4-ethoxyphenyl)methyl]oxamide (PubChem CID 125144939) has the molecular formula C20H24N2O4 and a molecular weight of 356.42 g/mol. Its IUPAC name is N,N'-bis[(4-ethoxyphenyl)methyl]oxamide.

Molecular Properties

Compound NameN,N'-bis[(4-ethoxyphenyl)methyl]oxamide
PubChem CID125144939
Molecular FormulaC20H24N2O4
Molecular Weight356.42 g/mol
Exact Mass356.17
IUPAC NameN,N'-bis[(4-ethoxyphenyl)methyl]oxamide
SMILESCCOc1ccc(CNC(=O)C(=O)NCc2ccc(OCC)cc2)cc1
InChIInChI=1S/C20H24N2O4/c1-3-25-17-9-5-15(6-10-17)13-21-19(23)20(24)22-14-16-7-11-18(12-8-16)26-4-2/h5-12H,3-4,13-14H2,1-2H3,(H,21,23)(H,22,24)
InChIKeyLWMUKBGUFJTQKJ-UHFFFAOYSA-N
XLogP2.42
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.42
LogP ≤ 52.42
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

N'-[(4-ethoxyphenyl)methyl]oxamide
CID 115191812
N'-[(4-ethoxyphenyl)methyl]-N-(3-methylbutyl)oxamide
CID 125144994
4-ethoxy-N-[[4-[[(4-ethoxybenzoyl)amino]methyl]phenyl]methyl]benzamide
CID 3528873
1-[(4-ethoxyphenyl)methyl]-3-ethylurea
CID 108884423
N'-(4-ethoxyphenyl)-N-[(4-fluorophenyl)methyl]oxamide
CID 2202978
N-[(4-ethoxyphenyl)methyl]-3-oxobutanamide
CID 115176377
3-[(4-ethoxyphenyl)methyl]-1,1-dipropylurea
CID 108884488
N-[(4-ethoxyphenyl)methyl]-2-(methylamino)acetamide;hydrochloride
CID 119714333
1-[(4-ethoxyphenyl)methyl]-3-(2-hydroxyethyl)urea
CID 108884480
N-[(4-ethoxyphenyl)methyl]-3-sulfanylpropanamide
CID 115167842
2-cyano-N-[(4-ethoxyphenyl)methyl]acetamide
CID 20991624
4-[(4-ethoxyphenyl)methylcarbamoyl]cyclohexane-1-carboxylic acid
CID 120672579

Frequently Asked Questions

What is the IUPAC name of N,N'-bis[(4-ethoxyphenyl)methyl]oxamide?
The IUPAC name of N,N'-bis[(4-ethoxyphenyl)methyl]oxamide (CID 125144939) is N,N'-bis[(4-ethoxyphenyl)methyl]oxamide.
What is the SMILES notation for N,N'-bis[(4-ethoxyphenyl)methyl]oxamide?
The canonical SMILES for N,N'-bis[(4-ethoxyphenyl)methyl]oxamide is CCOc1ccc(CNC(=O)C(=O)NCc2ccc(OCC)cc2)cc1.
What is the InChIKey of N,N'-bis[(4-ethoxyphenyl)methyl]oxamide?
The InChIKey is LWMUKBGUFJTQKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O4/c1-3-25-17-9-5-15(6-10-17)13-21-19(23)20(24)22-14-16-7-11-18(12-8-16)26-4-2/h5-12H,3-4,13-14H2,1-2H3,(H,21,23)(H,22,24).
What are the key properties of N,N'-bis[(4-ethoxyphenyl)methyl]oxamide?
N,N'-bis[(4-ethoxyphenyl)methyl]oxamide has a molecular weight of 356.42 g/mol, XLogP of 2.42, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N'-bis[(4-ethoxyphenyl)methyl]oxamide is sourced from PubChem (CID 125144939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).