N-[2-(3,4-diethoxyphenyl)ethyl]-N'-[(4-methylphenyl)methyl]oxamide

C22H28N2O4 — CID 108518152

IUPACN-[2-(3,4-diethoxyphenyl)ethyl]-N'-[(4-methylphenyl)methyl]oxamide
SMILESCCOc1ccc(CCNC(=O)C(=O)NCc2ccc(C)cc2)cc1OCC
InChIInChI=1S/C22H28N2O4/c1-4-27-19-11-10-17(14-20(19)28-5-2)12-13-23-21(25)22(26)24-15-18-8-6-16(3)7-9-18/h6-11,14H,4-5,12-13,15H2,1-3H3,(H,23,25)(H,24,26)
InChIKeyDYZPXVAKAPBVQQ-UHFFFAOYSA-N
MW384.48 g/mol
LogP2.77
Rot. Bonds9

About N-[2-(3,4-diethoxyphenyl)ethyl]-N'-[(4-methylphenyl)methyl]oxamide

N-[2-(3,4-diethoxyphenyl)ethyl]-N'-[(4-methylphenyl)methyl]oxamide (PubChem CID 108518152) has the molecular formula C22H28N2O4 and a molecular weight of 384.48 g/mol. Its IUPAC name is N-[2-(3,4-diethoxyphenyl)ethyl]-N'-[(4-methylphenyl)methyl]oxamide.

Molecular Properties

Compound NameN-[2-(3,4-diethoxyphenyl)ethyl]-N'-[(4-methylphenyl)methyl]oxamide
PubChem CID108518152
Molecular FormulaC22H28N2O4
Molecular Weight384.48 g/mol
Exact Mass384.20
IUPAC NameN-[2-(3,4-diethoxyphenyl)ethyl]-N'-[(4-methylphenyl)methyl]oxamide
SMILESCCOc1ccc(CCNC(=O)C(=O)NCc2ccc(C)cc2)cc1OCC
InChIInChI=1S/C22H28N2O4/c1-4-27-19-11-10-17(14-20(19)28-5-2)12-13-23-21(25)22(26)24-15-18-8-6-16(3)7-9-18/h6-11,14H,4-5,12-13,15H2,1-3H3,(H,23,25)(H,24,26)
InChIKeyDYZPXVAKAPBVQQ-UHFFFAOYSA-N
XLogP2.77
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.48
LogP ≤ 52.77
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

ethyl N-[2-(3,4-diethoxyphenyl)ethyl]carbamate
CID 60637680
N'-cycloheptyl-N-[2-(3,4-diethoxyphenyl)ethyl]oxamide
CID 108529732
N-[2-(3,4-diethoxyphenyl)ethyl]-N'-(1,2,4-triazol-4-yl)oxamide
CID 108519171
N-[2-(3,4-diethoxyphenyl)ethyl]-2-hydroxy-4-methylbenzamide
CID 33239228
N-[2-(3,4-diethoxyphenyl)ethyl]-N'-(4-fluorophenyl)oxamide
CID 108512624
N'-cyclohexyl-N-[2-(3,4-diethoxyphenyl)ethyl]oxamide
CID 108504420
N'-[(Z)-(3,4-diethoxyphenyl)methylideneamino]-N-[(4-methylphenyl)methyl]oxamide
CID 8932041
1-butyl-3-[2-(3,4-diethoxyphenyl)ethyl]urea
CID 108888179
2-(3-ethoxy-4-methoxyphenyl)ethylcarbamic acid
CID 16638088
N-[2-(3,4-diethoxyphenyl)ethyl]-N'-(3-methyl-2-pyridinyl)oxamide
CID 108529757
2-chloro-N-[2-(3,4-diethoxyphenyl)ethyl]propanamide
CID 43244618
1-[2-(4-chlorophenyl)ethyl]-3-[2-(3,4-diethoxyphenyl)ethyl]urea
CID 108891954

Frequently Asked Questions

What is the IUPAC name of N-[2-(3,4-diethoxyphenyl)ethyl]-N'-[(4-methylphenyl)methyl]oxamide?
The IUPAC name of N-[2-(3,4-diethoxyphenyl)ethyl]-N'-[(4-methylphenyl)methyl]oxamide (CID 108518152) is N-[2-(3,4-diethoxyphenyl)ethyl]-N'-[(4-methylphenyl)methyl]oxamide.
What is the SMILES notation for N-[2-(3,4-diethoxyphenyl)ethyl]-N'-[(4-methylphenyl)methyl]oxamide?
The canonical SMILES for N-[2-(3,4-diethoxyphenyl)ethyl]-N'-[(4-methylphenyl)methyl]oxamide is CCOc1ccc(CCNC(=O)C(=O)NCc2ccc(C)cc2)cc1OCC.
What is the InChIKey of N-[2-(3,4-diethoxyphenyl)ethyl]-N'-[(4-methylphenyl)methyl]oxamide?
The InChIKey is DYZPXVAKAPBVQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N2O4/c1-4-27-19-11-10-17(14-20(19)28-5-2)12-13-23-21(25)22(26)24-15-18-8-6-16(3)7-9-18/h6-11,14H,4-5,12-13,15H2,1-3H3,(H,23,25)(H,24,26).
What are the key properties of N-[2-(3,4-diethoxyphenyl)ethyl]-N'-[(4-methylphenyl)methyl]oxamide?
N-[2-(3,4-diethoxyphenyl)ethyl]-N'-[(4-methylphenyl)methyl]oxamide has a molecular weight of 384.48 g/mol, XLogP of 2.77, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3,4-diethoxyphenyl)ethyl]-N'-[(4-methylphenyl)methyl]oxamide is sourced from PubChem (CID 108518152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).