N-benzyl-N'-(4-propoxyphenyl)oxamide

C18H20N2O3 — CID 124624786

IUPACN-benzyl-N'-(4-propoxyphenyl)oxamide
SMILESCCCOc1ccc(NC(=O)C(=O)NCc2ccccc2)cc1
InChIInChI=1S/C18H20N2O3/c1-2-12-23-16-10-8-15(9-11-16)20-18(22)17(21)19-13-14-6-4-3-5-7-14/h3-11H,2,12-13H2,1H3,(H,19,21)(H,20,22)
InChIKeyHUJUGHHRJPRHHX-UHFFFAOYSA-N
MW312.37 g/mol
LogP2.73
Rot. Bonds6

About N-benzyl-N'-(4-propoxyphenyl)oxamide

N-benzyl-N'-(4-propoxyphenyl)oxamide (PubChem CID 124624786) has the molecular formula C18H20N2O3 and a molecular weight of 312.37 g/mol. Its IUPAC name is N-benzyl-N'-(4-propoxyphenyl)oxamide.

Molecular Properties

Compound NameN-benzyl-N'-(4-propoxyphenyl)oxamide
PubChem CID124624786
Molecular FormulaC18H20N2O3
Molecular Weight312.37 g/mol
Exact Mass312.15
IUPAC NameN-benzyl-N'-(4-propoxyphenyl)oxamide
SMILESCCCOc1ccc(NC(=O)C(=O)NCc2ccccc2)cc1
InChIInChI=1S/C18H20N2O3/c1-2-12-23-16-10-8-15(9-11-16)20-18(22)17(21)19-13-14-6-4-3-5-7-14/h3-11H,2,12-13H2,1H3,(H,19,21)(H,20,22)
InChIKeyHUJUGHHRJPRHHX-UHFFFAOYSA-N
XLogP2.73
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.37
LogP ≤ 52.73
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-(2-phenylethyl)-N'-(4-propoxyphenyl)oxamide
CID 2966854
N-benzyl-4-[(4-propoxybenzoyl)amino]benzamide
CID 28639944
N-ethyl-N'-(4-propoxyphenyl)oxamide
CID 124624762
N'-(4-butoxyphenyl)-N-[(4-methoxyphenyl)methyl]oxamide
CID 2194197
N-[(2-methoxyphenyl)methyl]-N'-(4-propoxyphenyl)oxamide
CID 125145113
N-[(4-chlorophenyl)methyl]-N'-(4-pentoxyphenyl)oxamide
CID 5237210
N-(2-hydroxyethyl)-N'-(4-propoxyphenyl)oxamide
CID 124624780
N-pentyl-N'-(4-propoxyphenyl)oxamide
CID 124624768
N'-(4-ethoxyphenyl)-N-[(4-fluorophenyl)methyl]oxamide
CID 2202978
N-benzyl-4-[(4-heptoxybenzoyl)amino]benzamide
CID 43887413
1-(4-fluorophenyl)-3-[(4-propoxyphenyl)methyl]urea
CID 51046163
N-benzyl-4-oxo-4-(4-propoxyphenyl)butanamide
CID 7779404

Frequently Asked Questions

What is the IUPAC name of N-benzyl-N'-(4-propoxyphenyl)oxamide?
The IUPAC name of N-benzyl-N'-(4-propoxyphenyl)oxamide (CID 124624786) is N-benzyl-N'-(4-propoxyphenyl)oxamide.
What is the SMILES notation for N-benzyl-N'-(4-propoxyphenyl)oxamide?
The canonical SMILES for N-benzyl-N'-(4-propoxyphenyl)oxamide is CCCOc1ccc(NC(=O)C(=O)NCc2ccccc2)cc1.
What is the InChIKey of N-benzyl-N'-(4-propoxyphenyl)oxamide?
The InChIKey is HUJUGHHRJPRHHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O3/c1-2-12-23-16-10-8-15(9-11-16)20-18(22)17(21)19-13-14-6-4-3-5-7-14/h3-11H,2,12-13H2,1H3,(H,19,21)(H,20,22).
What are the key properties of N-benzyl-N'-(4-propoxyphenyl)oxamide?
N-benzyl-N'-(4-propoxyphenyl)oxamide has a molecular weight of 312.37 g/mol, XLogP of 2.73, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-N'-(4-propoxyphenyl)oxamide is sourced from PubChem (CID 124624786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).