N'-[(4-ethoxyphenyl)methyl]-N-(3-methylbutyl)oxamide

C16H24N2O3 — CID 125144994

IUPACN'-[(4-ethoxyphenyl)methyl]-N-(3-methylbutyl)oxamide
SMILESCCOc1ccc(CNC(=O)C(=O)NCCC(C)C)cc1
InChIInChI=1S/C16H24N2O3/c1-4-21-14-7-5-13(6-8-14)11-18-16(20)15(19)17-10-9-12(2)3/h5-8,12H,4,9-11H2,1-3H3,(H,17,19)(H,18,20)
InChIKeySNUMSMLNENWEDL-UHFFFAOYSA-N
MW292.38 g/mol
LogP1.86
Rot. Bonds7

About N'-[(4-ethoxyphenyl)methyl]-N-(3-methylbutyl)oxamide

N'-[(4-ethoxyphenyl)methyl]-N-(3-methylbutyl)oxamide (PubChem CID 125144994) has the molecular formula C16H24N2O3 and a molecular weight of 292.38 g/mol. Its IUPAC name is N'-[(4-ethoxyphenyl)methyl]-N-(3-methylbutyl)oxamide.

Molecular Properties

Compound NameN'-[(4-ethoxyphenyl)methyl]-N-(3-methylbutyl)oxamide
PubChem CID125144994
Molecular FormulaC16H24N2O3
Molecular Weight292.38 g/mol
Exact Mass292.18
IUPAC NameN'-[(4-ethoxyphenyl)methyl]-N-(3-methylbutyl)oxamide
SMILESCCOc1ccc(CNC(=O)C(=O)NCCC(C)C)cc1
InChIInChI=1S/C16H24N2O3/c1-4-21-14-7-5-13(6-8-14)11-18-16(20)15(19)17-10-9-12(2)3/h5-8,12H,4,9-11H2,1-3H3,(H,17,19)(H,18,20)
InChIKeySNUMSMLNENWEDL-UHFFFAOYSA-N
XLogP1.86
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.38
LogP ≤ 51.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N,N'-bis[(4-ethoxyphenyl)methyl]oxamide
CID 125144939
N'-[(4-ethoxyphenyl)methyl]oxamide
CID 115191812
N-(3-methylbutyl)-N'-[(4-sulfamoylphenyl)methyl]oxamide
CID 108520363
2-(4-ethoxyanilino)-N-(3-methylbutyl)acetamide
CID 39364243
N-[(4-ethoxyphenyl)methyl]-4-methylpentan-1-amine
CID 60744254
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
1-[(4-ethoxyphenyl)methyl]-3-(2-hydroxyethyl)urea
CID 108884480
N'-[(4-ethoxyphenyl)methyl]-N-(3-morpholin-4-ylpropyl)oxamide
CID 125145042
N-[(4-ethoxyphenyl)methyl]-3-oxobutanamide
CID 115176377
3-[(4-ethoxyphenyl)methyl]-1,1-dipropylurea
CID 108884488

Frequently Asked Questions

What is the IUPAC name of N'-[(4-ethoxyphenyl)methyl]-N-(3-methylbutyl)oxamide?
The IUPAC name of N'-[(4-ethoxyphenyl)methyl]-N-(3-methylbutyl)oxamide (CID 125144994) is N'-[(4-ethoxyphenyl)methyl]-N-(3-methylbutyl)oxamide.
What is the SMILES notation for N'-[(4-ethoxyphenyl)methyl]-N-(3-methylbutyl)oxamide?
The canonical SMILES for N'-[(4-ethoxyphenyl)methyl]-N-(3-methylbutyl)oxamide is CCOc1ccc(CNC(=O)C(=O)NCCC(C)C)cc1.
What is the InChIKey of N'-[(4-ethoxyphenyl)methyl]-N-(3-methylbutyl)oxamide?
The InChIKey is SNUMSMLNENWEDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O3/c1-4-21-14-7-5-13(6-8-14)11-18-16(20)15(19)17-10-9-12(2)3/h5-8,12H,4,9-11H2,1-3H3,(H,17,19)(H,18,20).
What are the key properties of N'-[(4-ethoxyphenyl)methyl]-N-(3-methylbutyl)oxamide?
N'-[(4-ethoxyphenyl)methyl]-N-(3-methylbutyl)oxamide has a molecular weight of 292.38 g/mol, XLogP of 1.86, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(4-ethoxyphenyl)methyl]-N-(3-methylbutyl)oxamide is sourced from PubChem (CID 125144994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).