N'-(4-butoxyphenyl)-N-[(4-methoxyphenyl)methyl]oxamide

C20H24N2O4 — CID 2194197

IUPACN'-(4-butoxyphenyl)-N-[(4-methoxyphenyl)methyl]oxamide
SMILESCCCCOc1ccc(NC(=O)C(=O)NCc2ccc(OC)cc2)cc1
InChIInChI=1S/C20H24N2O4/c1-3-4-13-26-18-11-7-16(8-12-18)22-20(24)19(23)21-14-15-5-9-17(25-2)10-6-15/h5-12H,3-4,13-14H2,1-2H3,(H,21,23)(H,22,24)
InChIKeyDPEDCJMITLTNAT-UHFFFAOYSA-N
MW356.42 g/mol
LogP3.13
Rot. Bonds8

About N'-(4-butoxyphenyl)-N-[(4-methoxyphenyl)methyl]oxamide

N'-(4-butoxyphenyl)-N-[(4-methoxyphenyl)methyl]oxamide (PubChem CID 2194197) has the molecular formula C20H24N2O4 and a molecular weight of 356.42 g/mol. Its IUPAC name is N'-(4-butoxyphenyl)-N-[(4-methoxyphenyl)methyl]oxamide.

Molecular Properties

Compound NameN'-(4-butoxyphenyl)-N-[(4-methoxyphenyl)methyl]oxamide
PubChem CID2194197
Molecular FormulaC20H24N2O4
Molecular Weight356.42 g/mol
Exact Mass356.17
IUPAC NameN'-(4-butoxyphenyl)-N-[(4-methoxyphenyl)methyl]oxamide
SMILESCCCCOc1ccc(NC(=O)C(=O)NCc2ccc(OC)cc2)cc1
InChIInChI=1S/C20H24N2O4/c1-3-4-13-26-18-11-7-16(8-12-18)22-20(24)19(23)21-14-15-5-9-17(25-2)10-6-15/h5-12H,3-4,13-14H2,1-2H3,(H,21,23)(H,22,24)
InChIKeyDPEDCJMITLTNAT-UHFFFAOYSA-N
XLogP3.13
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 ≤ 53.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[(4-chlorophenyl)methyl]-N'-(4-pentoxyphenyl)oxamide
CID 5237210
N-benzyl-N'-(4-propoxyphenyl)oxamide
CID 124624786
5-N-[(4-butoxyphenyl)methyl]-2-N-(4-methoxyphenyl)-1,3,4-thiadiazole-2,5-dicarboxamide
CID 46353697
N'-(4-butoxyphenyl)-N-heptyloxamide
CID 17201915
N-[(4-methoxyphenyl)methyl]-N'-(4-nitrophenyl)oxamide
CID 2889588
N'-(4-ethoxyphenyl)-N-[(4-fluorophenyl)methyl]oxamide
CID 2202978
N-(4-hexoxyphenyl)-2-(4-methoxyphenyl)acetamide
CID 4939326
N-pentyl-N'-(4-propoxyphenyl)oxamide
CID 124624768
N-ethyl-N'-(4-propoxyphenyl)oxamide
CID 124624762
N-[2-(4-methoxyphenoxy)ethyl]-N'-[(4-methylphenyl)methyl]oxamide
CID 108518165
N-[(2-methoxyphenyl)methyl]-N'-(4-propoxyphenyl)oxamide
CID 125145113
N'-(4-butoxyphenyl)-N-(3-ethoxypropyl)oxamide
CID 126262180

Frequently Asked Questions

What is the IUPAC name of N'-(4-butoxyphenyl)-N-[(4-methoxyphenyl)methyl]oxamide?
The IUPAC name of N'-(4-butoxyphenyl)-N-[(4-methoxyphenyl)methyl]oxamide (CID 2194197) is N'-(4-butoxyphenyl)-N-[(4-methoxyphenyl)methyl]oxamide.
What is the SMILES notation for N'-(4-butoxyphenyl)-N-[(4-methoxyphenyl)methyl]oxamide?
The canonical SMILES for N'-(4-butoxyphenyl)-N-[(4-methoxyphenyl)methyl]oxamide is CCCCOc1ccc(NC(=O)C(=O)NCc2ccc(OC)cc2)cc1.
What is the InChIKey of N'-(4-butoxyphenyl)-N-[(4-methoxyphenyl)methyl]oxamide?
The InChIKey is DPEDCJMITLTNAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O4/c1-3-4-13-26-18-11-7-16(8-12-18)22-20(24)19(23)21-14-15-5-9-17(25-2)10-6-15/h5-12H,3-4,13-14H2,1-2H3,(H,21,23)(H,22,24).
What are the key properties of N'-(4-butoxyphenyl)-N-[(4-methoxyphenyl)methyl]oxamide?
N'-(4-butoxyphenyl)-N-[(4-methoxyphenyl)methyl]oxamide has a molecular weight of 356.42 g/mol, XLogP of 3.13, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(4-butoxyphenyl)-N-[(4-methoxyphenyl)methyl]oxamide is sourced from PubChem (CID 2194197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).