N-(2-phenylethyl)-N'-[(Z)-(3,4,5-trimethoxyphenyl)methylideneamino]oxamide

C20H23N3O5 — CID 6260731

IUPACN-(2-phenylethyl)-N'-[(Z)-(3,4,5-trimethoxyphenyl)methylideneamino]oxamide
SMILESCOc1cc(/C=N\NC(=O)C(=O)NCCc2ccccc2)cc(OC)c1OC
InChIInChI=1S/C20H23N3O5/c1-26-16-11-15(12-17(27-2)18(16)28-3)13-22-23-20(25)19(24)21-10-9-14-7-5-4-6-8-14/h4-8,11-13H,9-10H2,1-3H3,(H,21,24)(H,23,25)/b22-13-
InChIKeyBRJJPDHZZDLKKC-XKZIYDEJSA-N
MW385.42 g/mol
LogP1.52
Rot. Bonds8

About N-(2-phenylethyl)-N'-[(Z)-(3,4,5-trimethoxyphenyl)methylideneamino]oxamide

N-(2-phenylethyl)-N'-[(Z)-(3,4,5-trimethoxyphenyl)methylideneamino]oxamide (PubChem CID 6260731) has the molecular formula C20H23N3O5 and a molecular weight of 385.42 g/mol. Its IUPAC name is N-(2-phenylethyl)-N'-[(Z)-(3,4,5-trimethoxyphenyl)methylideneamino]oxamide.

Molecular Properties

Compound NameN-(2-phenylethyl)-N'-[(Z)-(3,4,5-trimethoxyphenyl)methylideneamino]oxamide
PubChem CID6260731
Molecular FormulaC20H23N3O5
Molecular Weight385.42 g/mol
Exact Mass385.16
IUPAC NameN-(2-phenylethyl)-N'-[(Z)-(3,4,5-trimethoxyphenyl)methylideneamino]oxamide
SMILESCOc1cc(/C=N\NC(=O)C(=O)NCCc2ccccc2)cc(OC)c1OC
InChIInChI=1S/C20H23N3O5/c1-26-16-11-15(12-17(27-2)18(16)28-3)13-22-23-20(25)19(24)21-10-9-14-7-5-4-6-8-14/h4-8,11-13H,9-10H2,1-3H3,(H,21,24)(H,23,25)/b22-13-
InChIKeyBRJJPDHZZDLKKC-XKZIYDEJSA-N
XLogP1.52
TPSA98.25 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.42
LogP ≤ 51.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-(2-phenylethyl)-N'-[(Z)-(2,3,4-trimethoxyphenyl)methylideneamino]oxamide
CID 133240925
N-(2-phenylethyl)-N'-(3,4,5-trimethoxyphenyl)oxamide
CID 108985137
N-benzyl-N'-[(3,4,5-trimethoxyphenyl)methylideneamino]butanediamide
CID 3813231
N'-[(Z)-(3-ethoxy-4-hydroxy-5-iodophenyl)methylideneamino]-N-[2-(3,4,5-trimethoxyphenyl)ethyl]oxamide
CID 136676413
N'-[(Z)-[4-[2-(2,6-dimethylanilino)-2-oxoethoxy]-3-methoxyphenyl]methylideneamino]-N-(2-phenylethyl)oxamide
CID 126177103
N'-[(Z)-(3-ethoxy-4-propoxyphenyl)methylideneamino]-N-(2-phenylethyl)oxamide
CID 8989116
1-[(3,4-dimethoxyphenyl)methylideneamino]-3-(2-phenylethyl)thiourea
CID 2396035
N-[2-(3,4-dimethoxyphenyl)ethyl]-N'-[(E)-(3-phenylmethoxyphenyl)methylideneamino]oxamide
CID 21212848
4-[(Z)-[[2-[2-(3,4-dimethoxyphenyl)ethylamino]-2-oxoacetyl]hydrazinylidene]methyl]benzoic acid
CID 6326501
N-[2-(3,4-dimethoxyphenyl)ethyl]-N'-[(Z)-(4-methoxyphenyl)methylideneamino]oxamide
CID 8900282
N-benzyl-N'-[(Z)-(3-chloro-5-ethoxy-4-methoxyphenyl)methylideneamino]oxamide
CID 8900710
2-benzylsulfanyl-N-[(3,4,5-trimethoxyphenyl)methylideneamino]propanamide
CID 3110453

Frequently Asked Questions

What is the IUPAC name of N-(2-phenylethyl)-N'-[(Z)-(3,4,5-trimethoxyphenyl)methylideneamino]oxamide?
The IUPAC name of N-(2-phenylethyl)-N'-[(Z)-(3,4,5-trimethoxyphenyl)methylideneamino]oxamide (CID 6260731) is N-(2-phenylethyl)-N'-[(Z)-(3,4,5-trimethoxyphenyl)methylideneamino]oxamide.
What is the SMILES notation for N-(2-phenylethyl)-N'-[(Z)-(3,4,5-trimethoxyphenyl)methylideneamino]oxamide?
The canonical SMILES for N-(2-phenylethyl)-N'-[(Z)-(3,4,5-trimethoxyphenyl)methylideneamino]oxamide is COc1cc(/C=N\NC(=O)C(=O)NCCc2ccccc2)cc(OC)c1OC.
What is the InChIKey of N-(2-phenylethyl)-N'-[(Z)-(3,4,5-trimethoxyphenyl)methylideneamino]oxamide?
The InChIKey is BRJJPDHZZDLKKC-XKZIYDEJSA-N. The full InChI is InChI=1S/C20H23N3O5/c1-26-16-11-15(12-17(27-2)18(16)28-3)13-22-23-20(25)19(24)21-10-9-14-7-5-4-6-8-14/h4-8,11-13H,9-10H2,1-3H3,(H,21,24)(H,23,25)/b22-13-.
What are the key properties of N-(2-phenylethyl)-N'-[(Z)-(3,4,5-trimethoxyphenyl)methylideneamino]oxamide?
N-(2-phenylethyl)-N'-[(Z)-(3,4,5-trimethoxyphenyl)methylideneamino]oxamide has a molecular weight of 385.42 g/mol, XLogP of 1.52, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-phenylethyl)-N'-[(Z)-(3,4,5-trimethoxyphenyl)methylideneamino]oxamide is sourced from PubChem (CID 6260731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).