N-(2-phenylethyl)-N'-(3,4,5-trimethoxyphenyl)oxamide

C19H22N2O5 — CID 108985137

IUPACN-(2-phenylethyl)-N'-(3,4,5-trimethoxyphenyl)oxamide
SMILESCOc1cc(NC(=O)C(=O)NCCc2ccccc2)cc(OC)c1OC
InChIInChI=1S/C19H22N2O5/c1-24-15-11-14(12-16(25-2)17(15)26-3)21-19(23)18(22)20-10-9-13-7-5-4-6-8-13/h4-8,11-12H,9-10H2,1-3H3,(H,20,22)(H,21,23)
InChIKeyIFEKYYJIYYPIQV-UHFFFAOYSA-N
MW358.39 g/mol
LogP2.01
Rot. Bonds7

About N-(2-phenylethyl)-N'-(3,4,5-trimethoxyphenyl)oxamide

N-(2-phenylethyl)-N'-(3,4,5-trimethoxyphenyl)oxamide (PubChem CID 108985137) has the molecular formula C19H22N2O5 and a molecular weight of 358.39 g/mol. Its IUPAC name is N-(2-phenylethyl)-N'-(3,4,5-trimethoxyphenyl)oxamide.

Molecular Properties

Compound NameN-(2-phenylethyl)-N'-(3,4,5-trimethoxyphenyl)oxamide
PubChem CID108985137
Molecular FormulaC19H22N2O5
Molecular Weight358.39 g/mol
Exact Mass358.15
IUPAC NameN-(2-phenylethyl)-N'-(3,4,5-trimethoxyphenyl)oxamide
SMILESCOc1cc(NC(=O)C(=O)NCCc2ccccc2)cc(OC)c1OC
InChIInChI=1S/C19H22N2O5/c1-24-15-11-14(12-16(25-2)17(15)26-3)21-19(23)18(22)20-10-9-13-7-5-4-6-8-13/h4-8,11-12H,9-10H2,1-3H3,(H,20,22)(H,21,23)
InChIKeyIFEKYYJIYYPIQV-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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Related Compounds

2-N-(2-phenylethyl)-1-N-(3,4,5-trimethoxyphenyl)cyclopropane-1,2-dicarboxamide
CID 109137440
3-phenyl-N-(3,4,5-trimethoxyphenyl)propanamide
CID 2991890
N-(2-phenylethyl)-N'-[(Z)-(3,4,5-trimethoxyphenyl)methylideneamino]oxamide
CID 6260731
N-[2-(3-methoxyphenyl)ethyl]-N'-phenyloxamide
CID 44892117
1-(3-phenylpropyl)-3-[2-(3,4,5-trimethoxyphenyl)ethyl]urea
CID 113217114
1-[2-[3,4-bis(phenylmethoxy)phenyl]ethyl]-3-(3,4,5-trimethoxyphenyl)urea
CID 10506672
N'-(3,4-dimethoxyphenyl)-N-[2-(4-methoxyphenyl)ethyl]oxamide
CID 7585270
1-[2-(3-bromophenyl)ethyl]-3-(3,4,5-trimethoxyphenyl)urea
CID 108866790
1-(3,4-dimethoxyphenyl)-3-(2-phenylethyl)thiourea
CID 7738775
N-(3-acetamidophenyl)-N'-(3,4,5-trimethoxyphenyl)oxamide
CID 108987482
N'-[2-(3-fluoro-4,5-dimethoxyphenyl)ethyl]-N-(2-phenylethyl)hexanediamide
CID 19838083
4-(2-phenylethyl)-N-(3,4,5-trimethoxyphenyl)piperazine-1-carboxamide
CID 113108846

Frequently Asked Questions

What is the IUPAC name of N-(2-phenylethyl)-N'-(3,4,5-trimethoxyphenyl)oxamide?
The IUPAC name of N-(2-phenylethyl)-N'-(3,4,5-trimethoxyphenyl)oxamide (CID 108985137) is N-(2-phenylethyl)-N'-(3,4,5-trimethoxyphenyl)oxamide.
What is the SMILES notation for N-(2-phenylethyl)-N'-(3,4,5-trimethoxyphenyl)oxamide?
The canonical SMILES for N-(2-phenylethyl)-N'-(3,4,5-trimethoxyphenyl)oxamide is COc1cc(NC(=O)C(=O)NCCc2ccccc2)cc(OC)c1OC.
What is the InChIKey of N-(2-phenylethyl)-N'-(3,4,5-trimethoxyphenyl)oxamide?
The InChIKey is IFEKYYJIYYPIQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O5/c1-24-15-11-14(12-16(25-2)17(15)26-3)21-19(23)18(22)20-10-9-13-7-5-4-6-8-13/h4-8,11-12H,9-10H2,1-3H3,(H,20,22)(H,21,23).
What are the key properties of N-(2-phenylethyl)-N'-(3,4,5-trimethoxyphenyl)oxamide?
N-(2-phenylethyl)-N'-(3,4,5-trimethoxyphenyl)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-phenylethyl)-N'-(3,4,5-trimethoxyphenyl)oxamide is sourced from PubChem (CID 108985137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).