N-[2-(3,4-dimethoxyphenyl)ethyl]-N'-(3-methoxyphenyl)oxamide

C19H22N2O5 — CID 2251265

IUPACN-[2-(3,4-dimethoxyphenyl)ethyl]-N'-(3-methoxyphenyl)oxamide
SMILESCOc1cccc(NC(=O)C(=O)NCCc2ccc(OC)c(OC)c2)c1
InChIInChI=1S/C19H22N2O5/c1-24-15-6-4-5-14(12-15)21-19(23)18(22)20-10-9-13-7-8-16(25-2)17(11-13)26-3/h4-8,11-12H,9-10H2,1-3H3,(H,20,22)(H,21,23)
InChIKeyODFSKXHYJMICKX-UHFFFAOYSA-N
MW358.39 g/mol
LogP2.01
Rot. Bonds7

About N-[2-(3,4-dimethoxyphenyl)ethyl]-N'-(3-methoxyphenyl)oxamide

N-[2-(3,4-dimethoxyphenyl)ethyl]-N'-(3-methoxyphenyl)oxamide (PubChem CID 2251265) has the molecular formula C19H22N2O5 and a molecular weight of 358.39 g/mol. Its IUPAC name is N-[2-(3,4-dimethoxyphenyl)ethyl]-N'-(3-methoxyphenyl)oxamide.

Molecular Properties

Compound NameN-[2-(3,4-dimethoxyphenyl)ethyl]-N'-(3-methoxyphenyl)oxamide
PubChem CID2251265
Molecular FormulaC19H22N2O5
Molecular Weight358.39 g/mol
Exact Mass358.15
IUPAC NameN-[2-(3,4-dimethoxyphenyl)ethyl]-N'-(3-methoxyphenyl)oxamide
SMILESCOc1cccc(NC(=O)C(=O)NCCc2ccc(OC)c(OC)c2)c1
InChIInChI=1S/C19H22N2O5/c1-24-15-6-4-5-14(12-15)21-19(23)18(22)20-10-9-13-7-8-16(25-2)17(11-13)26-3/h4-8,11-12H,9-10H2,1-3H3,(H,20,22)(H,21,23)
InChIKeyODFSKXHYJMICKX-UHFFFAOYSA-N
XLogP2.01
TPSA85.89 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.39
LogP ≤ 52.01
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-[2-(3,4-dimethoxyphenyl)ethyl]-N'-(3-methoxyphenyl)oxamide?
The IUPAC name of N-[2-(3,4-dimethoxyphenyl)ethyl]-N'-(3-methoxyphenyl)oxamide (CID 2251265) is N-[2-(3,4-dimethoxyphenyl)ethyl]-N'-(3-methoxyphenyl)oxamide.
What is the SMILES notation for N-[2-(3,4-dimethoxyphenyl)ethyl]-N'-(3-methoxyphenyl)oxamide?
The canonical SMILES for N-[2-(3,4-dimethoxyphenyl)ethyl]-N'-(3-methoxyphenyl)oxamide is COc1cccc(NC(=O)C(=O)NCCc2ccc(OC)c(OC)c2)c1.
What is the InChIKey of N-[2-(3,4-dimethoxyphenyl)ethyl]-N'-(3-methoxyphenyl)oxamide?
The InChIKey is ODFSKXHYJMICKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O5/c1-24-15-6-4-5-14(12-15)21-19(23)18(22)20-10-9-13-7-8-16(25-2)17(11-13)26-3/h4-8,11-12H,9-10H2,1-3H3,(H,20,22)(H,21,23).
What are the key properties of N-[2-(3,4-dimethoxyphenyl)ethyl]-N'-(3-methoxyphenyl)oxamide?
N-[2-(3,4-dimethoxyphenyl)ethyl]-N'-(3-methoxyphenyl)oxamide has a molecular weight of 358.39 g/mol, XLogP of 2.01, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3,4-dimethoxyphenyl)ethyl]-N'-(3-methoxyphenyl)oxamide is sourced from PubChem (CID 2251265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).