N'-[(Z)-(3,4-dimethoxyphenyl)methylideneamino]-N-[(4-propan-2-ylphenyl)methyl]oxamide

C21H25N3O4 — CID 8900870

IUPACN'-[(Z)-(3,4-dimethoxyphenyl)methylideneamino]-N-[(4-propan-2-ylphenyl)methyl]oxamide
SMILESCOc1ccc(/C=N\NC(=O)C(=O)NCc2ccc(C(C)C)cc2)cc1OC
InChIInChI=1S/C21H25N3O4/c1-14(2)17-8-5-15(6-9-17)12-22-20(25)21(26)24-23-13-16-7-10-18(27-3)19(11-16)28-4/h5-11,13-14H,12H2,1-4H3,(H,22,25)(H,24,26)/b23-13-
InChIKeyIFFRRLIQCLCNFH-QRVIBDJDSA-N
MW383.45 g/mol
LogP2.59
Rot. Bonds7

About N'-[(Z)-(3,4-dimethoxyphenyl)methylideneamino]-N-[(4-propan-2-ylphenyl)methyl]oxamide

N'-[(Z)-(3,4-dimethoxyphenyl)methylideneamino]-N-[(4-propan-2-ylphenyl)methyl]oxamide (PubChem CID 8900870) has the molecular formula C21H25N3O4 and a molecular weight of 383.45 g/mol. Its IUPAC name is N'-[(Z)-(3,4-dimethoxyphenyl)methylideneamino]-N-[(4-propan-2-ylphenyl)methyl]oxamide.

Molecular Properties

Compound NameN'-[(Z)-(3,4-dimethoxyphenyl)methylideneamino]-N-[(4-propan-2-ylphenyl)methyl]oxamide
PubChem CID8900870
Molecular FormulaC21H25N3O4
Molecular Weight383.45 g/mol
Exact Mass383.18
IUPAC NameN'-[(Z)-(3,4-dimethoxyphenyl)methylideneamino]-N-[(4-propan-2-ylphenyl)methyl]oxamide
SMILESCOc1ccc(/C=N\NC(=O)C(=O)NCc2ccc(C(C)C)cc2)cc1OC
InChIInChI=1S/C21H25N3O4/c1-14(2)17-8-5-15(6-9-17)12-22-20(25)21(26)24-23-13-16-7-10-18(27-3)19(11-16)28-4/h5-11,13-14H,12H2,1-4H3,(H,22,25)(H,24,26)/b23-13-
InChIKeyIFFRRLIQCLCNFH-QRVIBDJDSA-N
XLogP2.59
TPSA89.02 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.45
LogP ≤ 52.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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'-[(Z)-(3-methoxy-4-propoxyphenyl)methylideneamino]-N-[(4-propan-2-ylphenyl)methyl]oxamide
CID 8989104
N'-[(Z)-(3,4-dimethoxyphenyl)methylideneamino]-N-(pyridin-4-ylmethyl)oxamide
CID 94846416
N'-[(Z)-(3-chloro-4-ethoxyphenyl)methylideneamino]-N-[(4-propan-2-ylphenyl)methyl]oxamide
CID 8931669
N-[(4-chlorophenyl)methyl]-N'-[(Z)-(3-ethoxy-4-methoxyphenyl)methylideneamino]oxamide
CID 8901056
N'-[(E)-(3-bromo-4-hydroxyphenyl)methylideneamino]-N-[(4-propan-2-ylphenyl)methyl]oxamide
CID 135756929
N'-[(Z)-[3-ethoxy-4-[2-(4-ethylanilino)-2-oxoethoxy]phenyl]methylideneamino]-N-[(4-propan-2-ylphenyl)methyl]oxamide
CID 126181916
N'-[(Z)-(3,4-dimethoxyphenyl)methylideneamino]-N-propyloxamide
CID 5363155
N'-[(Z)-[3-ethoxy-4-[2-(4-methylanilino)-2-oxoethoxy]phenyl]methylideneamino]-N-[(4-propan-2-ylphenyl)methyl]oxamide
CID 126266405
N'-[(Z)-[4-[2-(4-methoxyanilino)-2-oxoethoxy]phenyl]methylideneamino]-N-[(4-propan-2-ylphenyl)methyl]oxamide
CID 126259031
N'-[(Z)-[3-iodo-5-methoxy-4-[2-(4-methoxyanilino)-2-oxoethoxy]phenyl]methylideneamino]-N-[(4-propan-2-ylphenyl)methyl]oxamide
CID 126163332
N'-[(Z)-[3-bromo-4-[2-(4-chloroanilino)-2-oxoethoxy]-5-methoxyphenyl]methylideneamino]-N-[(4-propan-2-ylphenyl)methyl]oxamide
CID 126178778
N'-[(Z)-[3-bromo-4-[2-(4-fluoroanilino)-2-oxoethoxy]-5-methoxyphenyl]methylideneamino]-N-[(4-propan-2-ylphenyl)methyl]oxamide
CID 126170078

Frequently Asked Questions

What is the IUPAC name of N'-[(Z)-(3,4-dimethoxyphenyl)methylideneamino]-N-[(4-propan-2-ylphenyl)methyl]oxamide?
The IUPAC name of N'-[(Z)-(3,4-dimethoxyphenyl)methylideneamino]-N-[(4-propan-2-ylphenyl)methyl]oxamide (CID 8900870) is N'-[(Z)-(3,4-dimethoxyphenyl)methylideneamino]-N-[(4-propan-2-ylphenyl)methyl]oxamide.
What is the SMILES notation for N'-[(Z)-(3,4-dimethoxyphenyl)methylideneamino]-N-[(4-propan-2-ylphenyl)methyl]oxamide?
The canonical SMILES for N'-[(Z)-(3,4-dimethoxyphenyl)methylideneamino]-N-[(4-propan-2-ylphenyl)methyl]oxamide is COc1ccc(/C=N\NC(=O)C(=O)NCc2ccc(C(C)C)cc2)cc1OC.
What is the InChIKey of N'-[(Z)-(3,4-dimethoxyphenyl)methylideneamino]-N-[(4-propan-2-ylphenyl)methyl]oxamide?
The InChIKey is IFFRRLIQCLCNFH-QRVIBDJDSA-N. The full InChI is InChI=1S/C21H25N3O4/c1-14(2)17-8-5-15(6-9-17)12-22-20(25)21(26)24-23-13-16-7-10-18(27-3)19(11-16)28-4/h5-11,13-14H,12H2,1-4H3,(H,22,25)(H,24,26)/b23-13-.
What are the key properties of N'-[(Z)-(3,4-dimethoxyphenyl)methylideneamino]-N-[(4-propan-2-ylphenyl)methyl]oxamide?
N'-[(Z)-(3,4-dimethoxyphenyl)methylideneamino]-N-[(4-propan-2-ylphenyl)methyl]oxamide has a molecular weight of 383.45 g/mol, XLogP of 2.59, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(Z)-(3,4-dimethoxyphenyl)methylideneamino]-N-[(4-propan-2-ylphenyl)methyl]oxamide is sourced from PubChem (CID 8900870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).