N'-[4-(4-methoxybenzoyl)phenyl]-N-[2-(4-methoxyphenyl)ethyl]oxamide

C25H24N2O5 — CID 110876908

IUPACN'-[4-(4-methoxybenzoyl)phenyl]-N-[2-(4-methoxyphenyl)ethyl]oxamide
SMILESCOc1ccc(CCNC(=O)C(=O)Nc2ccc(C(=O)c3ccc(OC)cc3)cc2)cc1
InChIInChI=1S/C25H24N2O5/c1-31-21-11-3-17(4-12-21)15-16-26-24(29)25(30)27-20-9-5-18(6-10-20)23(28)19-7-13-22(32-2)14-8-19/h3-14H,15-16H2,1-2H3,(H,26,29)(H,27,30)
InChIKeyWGQIHNZYULLGFW-UHFFFAOYSA-N
MW432.48 g/mol
LogP3.23
Rot. Bonds8

About N'-[4-(4-methoxybenzoyl)phenyl]-N-[2-(4-methoxyphenyl)ethyl]oxamide

N'-[4-(4-methoxybenzoyl)phenyl]-N-[2-(4-methoxyphenyl)ethyl]oxamide (PubChem CID 110876908) has the molecular formula C25H24N2O5 and a molecular weight of 432.48 g/mol. Its IUPAC name is N'-[4-(4-methoxybenzoyl)phenyl]-N-[2-(4-methoxyphenyl)ethyl]oxamide.

Molecular Properties

Compound NameN'-[4-(4-methoxybenzoyl)phenyl]-N-[2-(4-methoxyphenyl)ethyl]oxamide
PubChem CID110876908
Molecular FormulaC25H24N2O5
Molecular Weight432.48 g/mol
Exact Mass432.17
IUPAC NameN'-[4-(4-methoxybenzoyl)phenyl]-N-[2-(4-methoxyphenyl)ethyl]oxamide
SMILESCOc1ccc(CCNC(=O)C(=O)Nc2ccc(C(=O)c3ccc(OC)cc3)cc2)cc1
InChIInChI=1S/C25H24N2O5/c1-31-21-11-3-17(4-12-21)15-16-26-24(29)25(30)27-20-9-5-18(6-10-20)23(28)19-7-13-22(32-2)14-8-19/h3-14H,15-16H2,1-2H3,(H,26,29)(H,27,30)
InChIKeyWGQIHNZYULLGFW-UHFFFAOYSA-N
XLogP3.23
TPSA93.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.48
LogP ≤ 53.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N'-[4-(4-methoxybenzoyl)phenyl]-N-[2-(4-methoxyphenyl)ethyl]oxamide?
The IUPAC name of N'-[4-(4-methoxybenzoyl)phenyl]-N-[2-(4-methoxyphenyl)ethyl]oxamide (CID 110876908) is N'-[4-(4-methoxybenzoyl)phenyl]-N-[2-(4-methoxyphenyl)ethyl]oxamide.
What is the SMILES notation for N'-[4-(4-methoxybenzoyl)phenyl]-N-[2-(4-methoxyphenyl)ethyl]oxamide?
The canonical SMILES for N'-[4-(4-methoxybenzoyl)phenyl]-N-[2-(4-methoxyphenyl)ethyl]oxamide is COc1ccc(CCNC(=O)C(=O)Nc2ccc(C(=O)c3ccc(OC)cc3)cc2)cc1.
What is the InChIKey of N'-[4-(4-methoxybenzoyl)phenyl]-N-[2-(4-methoxyphenyl)ethyl]oxamide?
The InChIKey is WGQIHNZYULLGFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24N2O5/c1-31-21-11-3-17(4-12-21)15-16-26-24(29)25(30)27-20-9-5-18(6-10-20)23(28)19-7-13-22(32-2)14-8-19/h3-14H,15-16H2,1-2H3,(H,26,29)(H,27,30).
What are the key properties of N'-[4-(4-methoxybenzoyl)phenyl]-N-[2-(4-methoxyphenyl)ethyl]oxamide?
N'-[4-(4-methoxybenzoyl)phenyl]-N-[2-(4-methoxyphenyl)ethyl]oxamide has a molecular weight of 432.48 g/mol, XLogP of 3.23, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[4-(4-methoxybenzoyl)phenyl]-N-[2-(4-methoxyphenyl)ethyl]oxamide is sourced from PubChem (CID 110876908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).