N'-[(Z)-[4-[2-(3,4-dimethylanilino)-2-oxoethoxy]-3-ethoxyphenyl]methylideneamino]-N-propyloxamide

C24H30N4O5 — CID 126177239

IUPACN'-[(Z)-[4-[2-(3,4-dimethylanilino)-2-oxoethoxy]-3-ethoxyphenyl]methylideneamino]-N-propyloxamide
SMILESCCCNC(=O)C(=O)N/N=C\c1ccc(OCC(=O)Nc2ccc(C)c(C)c2)c(OCC)c1
InChIInChI=1S/C24H30N4O5/c1-5-11-25-23(30)24(31)28-26-14-18-8-10-20(21(13-18)32-6-2)33-15-22(29)27-19-9-7-16(3)17(4)12-19/h7-10,12-14H,5-6,11,15H2,1-4H3,(H,25,30)(H,27,29)(H,28,31)/b26-14-
InChIKeyYKUKJXWDRRSVCN-WGARJPEWSA-N
MW454.53 g/mol
LogP2.70
Rot. Bonds10

About N'-[(Z)-[4-[2-(3,4-dimethylanilino)-2-oxoethoxy]-3-ethoxyphenyl]methylideneamino]-N-propyloxamide

N'-[(Z)-[4-[2-(3,4-dimethylanilino)-2-oxoethoxy]-3-ethoxyphenyl]methylideneamino]-N-propyloxamide (PubChem CID 126177239) has the molecular formula C24H30N4O5 and a molecular weight of 454.53 g/mol. Its IUPAC name is N'-[(Z)-[4-[2-(3,4-dimethylanilino)-2-oxoethoxy]-3-ethoxyphenyl]methylideneamino]-N-propyloxamide.

Molecular Properties

Compound NameN'-[(Z)-[4-[2-(3,4-dimethylanilino)-2-oxoethoxy]-3-ethoxyphenyl]methylideneamino]-N-propyloxamide
PubChem CID126177239
Molecular FormulaC24H30N4O5
Molecular Weight454.53 g/mol
Exact Mass454.22
IUPAC NameN'-[(Z)-[4-[2-(3,4-dimethylanilino)-2-oxoethoxy]-3-ethoxyphenyl]methylideneamino]-N-propyloxamide
SMILESCCCNC(=O)C(=O)N/N=C\c1ccc(OCC(=O)Nc2ccc(C)c(C)c2)c(OCC)c1
InChIInChI=1S/C24H30N4O5/c1-5-11-25-23(30)24(31)28-26-14-18-8-10-20(21(13-18)32-6-2)33-15-22(29)27-19-9-7-16(3)17(4)12-19/h7-10,12-14H,5-6,11,15H2,1-4H3,(H,25,30)(H,27,29)(H,28,31)/b26-14-
InChIKeyYKUKJXWDRRSVCN-WGARJPEWSA-N
XLogP2.70
TPSA118.12 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500454.53
LogP ≤ 52.70
H-Bond Donors ≤ 53
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'-[(Z)-[4-[2-(3,4-dimethylanilino)-2-oxoethoxy]-3-ethoxyphenyl]methylideneamino]-N-(4-methoxyphenyl)oxamide
CID 126257726
N-cyclopropyl-N'-[(Z)-[4-[2-(3,4-dimethylanilino)-2-oxoethoxy]-3-ethoxyphenyl]methylideneamino]oxamide
CID 126268690
N'-[(Z)-[4-[2-(4-bromo-3-methylanilino)-2-oxoethoxy]-3-ethoxyphenyl]methylideneamino]-N-ethyloxamide
CID 126170370
N-(3-chlorophenyl)-N'-[(Z)-[4-[2-(3,4-dimethylanilino)-2-oxoethoxy]-3-ethoxyphenyl]methylideneamino]oxamide
CID 126278758
N'-[(Z)-[4-[2-(2-chloroanilino)-2-oxoethoxy]-3-ethoxyphenyl]methylideneamino]-N-propyloxamide
CID 126162386
N-butyl-N'-[(Z)-[4-[2-(2,5-dimethylanilino)-2-oxoethoxy]-3-ethoxyphenyl]methylideneamino]oxamide
CID 126167062
2-[2-ethoxy-4-[(Z)-[[2-oxo-2-(propylamino)acetyl]hydrazinylidene]methyl]phenoxy]acetate
CID 8990059
N-butyl-N'-[(Z)-[3-ethoxy-4-[2-(4-methoxyanilino)-2-oxoethoxy]phenyl]methylideneamino]oxamide
CID 126172008
N-butyl-N'-[(Z)-[3-ethoxy-4-[2-oxo-2-(2,4,6-trimethylanilino)ethoxy]phenyl]methylideneamino]oxamide
CID 126164329
N'-[(Z)-[4-[2-(4-bromo-3-methylanilino)-2-oxoethoxy]-3-ethoxyphenyl]methylideneamino]-N-methyloxamide
CID 126158206
N-butyl-N'-[(Z)-[4-[2-(2,4-dimethylanilino)-2-oxoethoxy]-3-ethoxyphenyl]methylideneamino]oxamide
CID 126158498
N'-[(Z)-[4-[2-(3,5-dimethylanilino)-2-oxoethoxy]-3-ethoxyphenyl]methylideneamino]-N-(3-methoxypropyl)oxamide
CID 126169635

Frequently Asked Questions

What is the IUPAC name of N'-[(Z)-[4-[2-(3,4-dimethylanilino)-2-oxoethoxy]-3-ethoxyphenyl]methylideneamino]-N-propyloxamide?
The IUPAC name of N'-[(Z)-[4-[2-(3,4-dimethylanilino)-2-oxoethoxy]-3-ethoxyphenyl]methylideneamino]-N-propyloxamide (CID 126177239) is N'-[(Z)-[4-[2-(3,4-dimethylanilino)-2-oxoethoxy]-3-ethoxyphenyl]methylideneamino]-N-propyloxamide.
What is the SMILES notation for N'-[(Z)-[4-[2-(3,4-dimethylanilino)-2-oxoethoxy]-3-ethoxyphenyl]methylideneamino]-N-propyloxamide?
The canonical SMILES for N'-[(Z)-[4-[2-(3,4-dimethylanilino)-2-oxoethoxy]-3-ethoxyphenyl]methylideneamino]-N-propyloxamide is CCCNC(=O)C(=O)N/N=C\c1ccc(OCC(=O)Nc2ccc(C)c(C)c2)c(OCC)c1.
What is the InChIKey of N'-[(Z)-[4-[2-(3,4-dimethylanilino)-2-oxoethoxy]-3-ethoxyphenyl]methylideneamino]-N-propyloxamide?
The InChIKey is YKUKJXWDRRSVCN-WGARJPEWSA-N. The full InChI is InChI=1S/C24H30N4O5/c1-5-11-25-23(30)24(31)28-26-14-18-8-10-20(21(13-18)32-6-2)33-15-22(29)27-19-9-7-16(3)17(4)12-19/h7-10,12-14H,5-6,11,15H2,1-4H3,(H,25,30)(H,27,29)(H,28,31)/b26-14-.
What are the key properties of N'-[(Z)-[4-[2-(3,4-dimethylanilino)-2-oxoethoxy]-3-ethoxyphenyl]methylideneamino]-N-propyloxamide?
N'-[(Z)-[4-[2-(3,4-dimethylanilino)-2-oxoethoxy]-3-ethoxyphenyl]methylideneamino]-N-propyloxamide has a molecular weight of 454.53 g/mol, XLogP of 2.70, 10 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(Z)-[4-[2-(3,4-dimethylanilino)-2-oxoethoxy]-3-ethoxyphenyl]methylideneamino]-N-propyloxamide is sourced from PubChem (CID 126177239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).