N'-[(Z)-(3-methoxy-4-propoxyphenyl)methylideneamino]-N-(4-propoxyphenyl)oxamide

C22H27N3O5 — CID 8989100

IUPACN'-[(Z)-(3-methoxy-4-propoxyphenyl)methylideneamino]-N-(4-propoxyphenyl)oxamide
SMILESCCCOc1ccc(NC(=O)C(=O)N/N=C\c2ccc(OCCC)c(OC)c2)cc1
InChIInChI=1S/C22H27N3O5/c1-4-12-29-18-9-7-17(8-10-18)24-21(26)22(27)25-23-15-16-6-11-19(30-13-5-2)20(14-16)28-3/h6-11,14-15H,4-5,12-13H2,1-3H3,(H,24,26)(H,25,27)/b23-15-
InChIKeyWQQUCLMUMQWWJS-HAHDFKILSA-N
MW413.47 g/mol
LogP3.36
Rot. Bonds10

About N'-[(Z)-(3-methoxy-4-propoxyphenyl)methylideneamino]-N-(4-propoxyphenyl)oxamide

N'-[(Z)-(3-methoxy-4-propoxyphenyl)methylideneamino]-N-(4-propoxyphenyl)oxamide (PubChem CID 8989100) has the molecular formula C22H27N3O5 and a molecular weight of 413.47 g/mol. Its IUPAC name is N'-[(Z)-(3-methoxy-4-propoxyphenyl)methylideneamino]-N-(4-propoxyphenyl)oxamide.

Molecular Properties

Compound NameN'-[(Z)-(3-methoxy-4-propoxyphenyl)methylideneamino]-N-(4-propoxyphenyl)oxamide
PubChem CID8989100
Molecular FormulaC22H27N3O5
Molecular Weight413.47 g/mol
Exact Mass413.20
IUPAC NameN'-[(Z)-(3-methoxy-4-propoxyphenyl)methylideneamino]-N-(4-propoxyphenyl)oxamide
SMILESCCCOc1ccc(NC(=O)C(=O)N/N=C\c2ccc(OCCC)c(OC)c2)cc1
InChIInChI=1S/C22H27N3O5/c1-4-12-29-18-9-7-17(8-10-18)24-21(26)22(27)25-23-15-16-6-11-19(30-13-5-2)20(14-16)28-3/h6-11,14-15H,4-5,12-13H2,1-3H3,(H,24,26)(H,25,27)/b23-15-
InChIKeyWQQUCLMUMQWWJS-HAHDFKILSA-N
XLogP3.36
TPSA98.25 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.47
LogP ≤ 53.36
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-(4-butoxyphenyl)-N'-[(Z)-(3,4-dimethoxyphenyl)methylideneamino]oxamide
CID 8900859
N-(4-ethylphenyl)-N'-[(Z)-(3-methoxy-4-propoxyphenyl)methylideneamino]oxamide
CID 8989089
N'-[(Z)-(3-chloro-4-methoxyphenyl)methylideneamino]-N-(4-propoxyphenyl)oxamide
CID 8900407
[4-[[(2-anilino-2-oxoacetyl)hydrazinylidene]methyl]-2-methoxyphenyl] 4-propoxybenzoate
CID 3871529
N'-[(Z)-(4-methoxyphenyl)methylideneamino]-N-(4-propoxyphenyl)oxamide
CID 8900317
[4-[(Z)-[[2-(4-bromoanilino)-2-oxoacetyl]hydrazinylidene]methyl]-2-methoxyphenyl] 4-propoxybenzoate
CID 6029637
N-(4-methoxyphenyl)-N'-[(3-methoxy-4-propoxyphenyl)methylideneamino]propanediamide
CID 3486320
N-(4-butoxyphenyl)-N'-[(Z)-[4-[2-(4-fluoroanilino)-2-oxoethoxy]-3-methoxyphenyl]methylideneamino]oxamide
CID 126157467
N'-[(Z)-[4-[2-(4-bromoanilino)-2-oxoethoxy]-3-methoxyphenyl]methylideneamino]-N-(4-butoxyphenyl)oxamide
CID 126170955
N-ethyl-N'-[(Z)-(3-methoxy-4-propoxyphenyl)methylideneamino]oxamide
CID 8989083
N'-[(Z)-[3-ethoxy-4-[2-(4-ethoxyanilino)-2-oxoethoxy]phenyl]methylideneamino]-N-(4-propoxyphenyl)oxamide
CID 126181039
N'-[(Z)-(3-methoxyphenyl)methylideneamino]-N-(4-propoxyphenyl)oxamide
CID 8901425

Frequently Asked Questions

What is the IUPAC name of N'-[(Z)-(3-methoxy-4-propoxyphenyl)methylideneamino]-N-(4-propoxyphenyl)oxamide?
The IUPAC name of N'-[(Z)-(3-methoxy-4-propoxyphenyl)methylideneamino]-N-(4-propoxyphenyl)oxamide (CID 8989100) is N'-[(Z)-(3-methoxy-4-propoxyphenyl)methylideneamino]-N-(4-propoxyphenyl)oxamide.
What is the SMILES notation for N'-[(Z)-(3-methoxy-4-propoxyphenyl)methylideneamino]-N-(4-propoxyphenyl)oxamide?
The canonical SMILES for N'-[(Z)-(3-methoxy-4-propoxyphenyl)methylideneamino]-N-(4-propoxyphenyl)oxamide is CCCOc1ccc(NC(=O)C(=O)N/N=C\c2ccc(OCCC)c(OC)c2)cc1.
What is the InChIKey of N'-[(Z)-(3-methoxy-4-propoxyphenyl)methylideneamino]-N-(4-propoxyphenyl)oxamide?
The InChIKey is WQQUCLMUMQWWJS-HAHDFKILSA-N. The full InChI is InChI=1S/C22H27N3O5/c1-4-12-29-18-9-7-17(8-10-18)24-21(26)22(27)25-23-15-16-6-11-19(30-13-5-2)20(14-16)28-3/h6-11,14-15H,4-5,12-13H2,1-3H3,(H,24,26)(H,25,27)/b23-15-.
What are the key properties of N'-[(Z)-(3-methoxy-4-propoxyphenyl)methylideneamino]-N-(4-propoxyphenyl)oxamide?
N'-[(Z)-(3-methoxy-4-propoxyphenyl)methylideneamino]-N-(4-propoxyphenyl)oxamide has a molecular weight of 413.47 g/mol, XLogP of 3.36, 10 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(Z)-(3-methoxy-4-propoxyphenyl)methylideneamino]-N-(4-propoxyphenyl)oxamide is sourced from PubChem (CID 8989100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).