N'-[1-(3,4-dimethoxyphenyl)ethyl]-N-(1-phenylethyl)oxamide

C20H24N2O4 — CID 108507825

IUPACN'-[1-(3,4-dimethoxyphenyl)ethyl]-N-(1-phenylethyl)oxamide
SMILESCOc1ccc(C(C)NC(=O)C(=O)NC(C)c2ccccc2)cc1OC
InChIInChI=1S/C20H24N2O4/c1-13(15-8-6-5-7-9-15)21-19(23)20(24)22-14(2)16-10-11-17(25-3)18(12-16)26-4/h5-14H,1-4H3,(H,21,23)(H,22,24)
InChIKeyGFQIQIVQURJESC-UHFFFAOYSA-N
MW356.42 g/mol
LogP2.76
Rot. Bonds6

About N'-[1-(3,4-dimethoxyphenyl)ethyl]-N-(1-phenylethyl)oxamide

N'-[1-(3,4-dimethoxyphenyl)ethyl]-N-(1-phenylethyl)oxamide (PubChem CID 108507825) has the molecular formula C20H24N2O4 and a molecular weight of 356.42 g/mol. Its IUPAC name is N'-[1-(3,4-dimethoxyphenyl)ethyl]-N-(1-phenylethyl)oxamide.

Molecular Properties

Compound NameN'-[1-(3,4-dimethoxyphenyl)ethyl]-N-(1-phenylethyl)oxamide
PubChem CID108507825
Molecular FormulaC20H24N2O4
Molecular Weight356.42 g/mol
Exact Mass356.17
IUPAC NameN'-[1-(3,4-dimethoxyphenyl)ethyl]-N-(1-phenylethyl)oxamide
SMILESCOc1ccc(C(C)NC(=O)C(=O)NC(C)c2ccccc2)cc1OC
InChIInChI=1S/C20H24N2O4/c1-13(15-8-6-5-7-9-15)21-19(23)20(24)22-14(2)16-10-11-17(25-3)18(12-16)26-4/h5-14H,1-4H3,(H,21,23)(H,22,24)
InChIKeyGFQIQIVQURJESC-UHFFFAOYSA-N
XLogP2.76
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.42
LogP ≤ 52.76
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

N-[(2R)-2-(3,4-dimethoxyphenyl)-2-hydroxyethyl]-N'-[(1S)-1-phenylethyl]oxamide
CID 99903169
2-(3,4-dimethoxyphenyl)-N-(1-phenylethyl)propanamide
CID 171372657
N'-[1-(3,4-dimethoxyphenyl)ethyl]-N-(2-methylpropyl)oxamide
CID 108504806
N'-[1-(3,4-dimethoxyphenyl)ethyl]-N-(4-phenoxyphenyl)oxamide
CID 108510015
N'-[1-(3,4-dimethoxyphenyl)ethyl]-N-(2-hydroxypropyl)oxamide
CID 108510076
3-amino-N-[1-(3,4-dimethoxyphenyl)ethyl]-2-methyl-3-phenylpropanamide
CID 119720013
N'-[1-(3,4-dimethoxyphenyl)ethyl]-N-pyridin-2-yloxamide
CID 108510112
N'-[1-(3,4-dimethoxyphenyl)ethyl]-N-naphthalen-2-yloxamide
CID 108510137
N-[1-(3-methoxy-4-propan-2-yloxyphenyl)ethyl]-2,2-diphenylacetamide
CID 46440384
N'-[1-(3,4-dimethoxyphenyl)ethyl]-N-(2-ethoxyphenyl)oxamide
CID 108510172
N-(2,5-dimethoxyphenyl)-N'-(1-phenylethyl)oxamide
CID 4058268
2-anilino-N-[1-(3,4-dimethoxyphenyl)ethyl]acetamide;hydrochloride
CID 119720016

Frequently Asked Questions

What is the IUPAC name of N'-[1-(3,4-dimethoxyphenyl)ethyl]-N-(1-phenylethyl)oxamide?
The IUPAC name of N'-[1-(3,4-dimethoxyphenyl)ethyl]-N-(1-phenylethyl)oxamide (CID 108507825) is N'-[1-(3,4-dimethoxyphenyl)ethyl]-N-(1-phenylethyl)oxamide.
What is the SMILES notation for N'-[1-(3,4-dimethoxyphenyl)ethyl]-N-(1-phenylethyl)oxamide?
The canonical SMILES for N'-[1-(3,4-dimethoxyphenyl)ethyl]-N-(1-phenylethyl)oxamide is COc1ccc(C(C)NC(=O)C(=O)NC(C)c2ccccc2)cc1OC.
What is the InChIKey of N'-[1-(3,4-dimethoxyphenyl)ethyl]-N-(1-phenylethyl)oxamide?
The InChIKey is GFQIQIVQURJESC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O4/c1-13(15-8-6-5-7-9-15)21-19(23)20(24)22-14(2)16-10-11-17(25-3)18(12-16)26-4/h5-14H,1-4H3,(H,21,23)(H,22,24).
What are the key properties of N'-[1-(3,4-dimethoxyphenyl)ethyl]-N-(1-phenylethyl)oxamide?
N'-[1-(3,4-dimethoxyphenyl)ethyl]-N-(1-phenylethyl)oxamide has a molecular weight of 356.42 g/mol, XLogP of 2.76, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[1-(3,4-dimethoxyphenyl)ethyl]-N-(1-phenylethyl)oxamide is sourced from PubChem (CID 108507825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).