N-(3,4-diethoxyphenyl)-N'-[1-(4-ethylphenyl)ethyl]oxamide

C22H28N2O4 — CID 108510959

IUPACN-(3,4-diethoxyphenyl)-N'-[1-(4-ethylphenyl)ethyl]oxamide
SMILESCCOc1ccc(NC(=O)C(=O)NC(C)c2ccc(CC)cc2)cc1OCC
InChIInChI=1S/C22H28N2O4/c1-5-16-8-10-17(11-9-16)15(4)23-21(25)22(26)24-18-12-13-19(27-6-2)20(14-18)28-7-3/h8-15H,5-7H2,1-4H3,(H,23,25)(H,24,26)
InChIKeyCCMBCRFYLARIHY-UHFFFAOYSA-N
MW384.48 g/mol
LogP3.86
Rot. Bonds8

About N-(3,4-diethoxyphenyl)-N'-[1-(4-ethylphenyl)ethyl]oxamide

N-(3,4-diethoxyphenyl)-N'-[1-(4-ethylphenyl)ethyl]oxamide (PubChem CID 108510959) has the molecular formula C22H28N2O4 and a molecular weight of 384.48 g/mol. Its IUPAC name is N-(3,4-diethoxyphenyl)-N'-[1-(4-ethylphenyl)ethyl]oxamide.

Molecular Properties

Compound NameN-(3,4-diethoxyphenyl)-N'-[1-(4-ethylphenyl)ethyl]oxamide
PubChem CID108510959
Molecular FormulaC22H28N2O4
Molecular Weight384.48 g/mol
Exact Mass384.20
IUPAC NameN-(3,4-diethoxyphenyl)-N'-[1-(4-ethylphenyl)ethyl]oxamide
SMILESCCOc1ccc(NC(=O)C(=O)NC(C)c2ccc(CC)cc2)cc1OCC
InChIInChI=1S/C22H28N2O4/c1-5-16-8-10-17(11-9-16)15(4)23-21(25)22(26)24-18-12-13-19(27-6-2)20(14-18)28-7-3/h8-15H,5-7H2,1-4H3,(H,23,25)(H,24,26)
InChIKeyCCMBCRFYLARIHY-UHFFFAOYSA-N
XLogP3.86
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.48
LogP ≤ 53.86
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

(Z)-2-cyano-3-(3,4-diethoxyanilino)-N-[1-(4-ethylphenyl)ethyl]prop-2-enamide
CID 108848538
N-(3,5-dimethylphenyl)-N'-[1-(4-ethylphenyl)ethyl]oxamide
CID 108511070
1-[1-(4-ethylphenyl)ethyl]-3-(3,4,5-triethoxyphenyl)urea
CID 108869694
N'-tert-butyl-N-(3,4-diethoxyphenyl)oxamide
CID 108506834
N-(3,4-dimethylphenyl)-N'-[(1R)-1-(4-ethoxyphenyl)ethyl]oxamide
CID 94536642
N-(3,4-diethoxyphenyl)-N'-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)propyl]oxamide
CID 108510735
N-[3,5-bis(trifluoromethyl)phenyl]-N'-[1-(4-ethylphenyl)ethyl]oxamide
CID 108511055
N-(4-chloro-3-nitrophenyl)-N'-[1-(4-ethylphenyl)ethyl]oxamide
CID 108510914
3,4,5-triethoxy-N-[(1S)-1-(4-ethylphenyl)ethyl]benzamide
CID 7288794
3-chloro-4-ethoxy-N-[1-(4-ethylphenyl)ethyl]benzamide
CID 133256897
N-(3,4-diethoxyphenyl)acetamide
CID 13120229
N-(3,4-diethoxyphenyl)-2-[methyl-[2-oxo-2-[[(1R)-1-phenylethyl]amino]ethyl]amino]acetamide
CID 7910523

Frequently Asked Questions

What is the IUPAC name of N-(3,4-diethoxyphenyl)-N'-[1-(4-ethylphenyl)ethyl]oxamide?
The IUPAC name of N-(3,4-diethoxyphenyl)-N'-[1-(4-ethylphenyl)ethyl]oxamide (CID 108510959) is N-(3,4-diethoxyphenyl)-N'-[1-(4-ethylphenyl)ethyl]oxamide.
What is the SMILES notation for N-(3,4-diethoxyphenyl)-N'-[1-(4-ethylphenyl)ethyl]oxamide?
The canonical SMILES for N-(3,4-diethoxyphenyl)-N'-[1-(4-ethylphenyl)ethyl]oxamide is CCOc1ccc(NC(=O)C(=O)NC(C)c2ccc(CC)cc2)cc1OCC.
What is the InChIKey of N-(3,4-diethoxyphenyl)-N'-[1-(4-ethylphenyl)ethyl]oxamide?
The InChIKey is CCMBCRFYLARIHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N2O4/c1-5-16-8-10-17(11-9-16)15(4)23-21(25)22(26)24-18-12-13-19(27-6-2)20(14-18)28-7-3/h8-15H,5-7H2,1-4H3,(H,23,25)(H,24,26).
What are the key properties of N-(3,4-diethoxyphenyl)-N'-[1-(4-ethylphenyl)ethyl]oxamide?
N-(3,4-diethoxyphenyl)-N'-[1-(4-ethylphenyl)ethyl]oxamide has a molecular weight of 384.48 g/mol, XLogP of 3.86, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-diethoxyphenyl)-N'-[1-(4-ethylphenyl)ethyl]oxamide is sourced from PubChem (CID 108510959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).