N-butyl-N'-[(Z)-[3-ethoxy-4-[2-oxo-2-(2,4,6-trimethylanilino)ethoxy]phenyl]methylideneamino]oxamide

C26H34N4O5 — CID 126164329

IUPACN-butyl-N'-[(Z)-[3-ethoxy-4-[2-oxo-2-(2,4,6-trimethylanilino)ethoxy]phenyl]methylideneamino]oxamide
SMILESCCCCNC(=O)C(=O)N/N=C\c1ccc(OCC(=O)Nc2c(C)cc(C)cc2C)c(OCC)c1
InChIInChI=1S/C26H34N4O5/c1-6-8-11-27-25(32)26(33)30-28-15-20-9-10-21(22(14-20)34-7-2)35-16-23(31)29-24-18(4)12-17(3)13-19(24)5/h9-10,12-15H,6-8,11,16H2,1-5H3,(H,27,32)(H,29,31)(H,30,33)/b28-15-
InChIKeyJYTZMGHJPYFJRX-MBTHVWNTSA-N
MW482.58 g/mol
LogP3.39
Rot. Bonds11

About N-butyl-N'-[(Z)-[3-ethoxy-4-[2-oxo-2-(2,4,6-trimethylanilino)ethoxy]phenyl]methylideneamino]oxamide

N-butyl-N'-[(Z)-[3-ethoxy-4-[2-oxo-2-(2,4,6-trimethylanilino)ethoxy]phenyl]methylideneamino]oxamide (PubChem CID 126164329) has the molecular formula C26H34N4O5 and a molecular weight of 482.58 g/mol. Its IUPAC name is N-butyl-N'-[(Z)-[3-ethoxy-4-[2-oxo-2-(2,4,6-trimethylanilino)ethoxy]phenyl]methylideneamino]oxamide.

Molecular Properties

Compound NameN-butyl-N'-[(Z)-[3-ethoxy-4-[2-oxo-2-(2,4,6-trimethylanilino)ethoxy]phenyl]methylideneamino]oxamide
PubChem CID126164329
Molecular FormulaC26H34N4O5
Molecular Weight482.58 g/mol
Exact Mass482.25
IUPAC NameN-butyl-N'-[(Z)-[3-ethoxy-4-[2-oxo-2-(2,4,6-trimethylanilino)ethoxy]phenyl]methylideneamino]oxamide
SMILESCCCCNC(=O)C(=O)N/N=C\c1ccc(OCC(=O)Nc2c(C)cc(C)cc2C)c(OCC)c1
InChIInChI=1S/C26H34N4O5/c1-6-8-11-27-25(32)26(33)30-28-15-20-9-10-21(22(14-20)34-7-2)35-16-23(31)29-24-18(4)12-17(3)13-19(24)5/h9-10,12-15H,6-8,11,16H2,1-5H3,(H,27,32)(H,29,31)(H,30,33)/b28-15-
InChIKeyJYTZMGHJPYFJRX-MBTHVWNTSA-N
XLogP3.39
TPSA118.12 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500482.58
LogP ≤ 53.39
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'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-butyl-N'-[(Z)-[3-methoxy-4-[2-oxo-2-(2,4,6-trimethylanilino)ethoxy]phenyl]methylideneamino]oxamide
CID 126156630
N-butyl-N'-[(Z)-[4-[2-(2,4-dimethylanilino)-2-oxoethoxy]-3-ethoxyphenyl]methylideneamino]oxamide
CID 126158498
N-butyl-N'-[(Z)-[4-[2-(2,5-dimethylanilino)-2-oxoethoxy]-3-ethoxyphenyl]methylideneamino]oxamide
CID 126167062
N-butyl-N'-[(Z)-[4-[2-(2,6-dimethylanilino)-2-oxoethoxy]-3-methoxyphenyl]methylideneamino]oxamide
CID 126166285
N-butyl-N'-[(Z)-[3-ethoxy-4-[2-(4-methoxyanilino)-2-oxoethoxy]phenyl]methylideneamino]oxamide
CID 126172008
N-butyl-N'-[(Z)-[3-[2-oxo-2-(2,4,6-trimethylanilino)ethoxy]phenyl]methylideneamino]oxamide
CID 126173313
N-butyl-N'-[(Z)-[4-[2-(2,4-dimethylanilino)-2-oxoethoxy]-3-methoxyphenyl]methylideneamino]oxamide
CID 126175724
N'-[(Z)-[4-[2-(3,4-dimethylanilino)-2-oxoethoxy]-3-ethoxyphenyl]methylideneamino]-N-propyloxamide
CID 126177239
N'-[(Z)-[4-[2-(3,5-dimethylanilino)-2-oxoethoxy]-3-ethoxyphenyl]methylideneamino]-N-(3-methoxypropyl)oxamide
CID 126169635
N'-[(Z)-[4-[2-(2,6-dimethylanilino)-2-oxoethoxy]-3-ethoxyphenyl]methylideneamino]-N-(2,6-dimethylphenyl)oxamide
CID 126256117
N-(4-butoxyphenyl)-N'-[(Z)-[3-methoxy-4-[2-oxo-2-(2,4,6-trimethylanilino)ethoxy]phenyl]methylideneamino]oxamide
CID 126161169
N'-[(Z)-[3-methoxy-4-[2-oxo-2-(2,4,6-trimethylanilino)ethoxy]phenyl]methylideneamino]-N-methyloxamide
CID 126159591

Frequently Asked Questions

What is the IUPAC name of N-butyl-N'-[(Z)-[3-ethoxy-4-[2-oxo-2-(2,4,6-trimethylanilino)ethoxy]phenyl]methylideneamino]oxamide?
The IUPAC name of N-butyl-N'-[(Z)-[3-ethoxy-4-[2-oxo-2-(2,4,6-trimethylanilino)ethoxy]phenyl]methylideneamino]oxamide (CID 126164329) is N-butyl-N'-[(Z)-[3-ethoxy-4-[2-oxo-2-(2,4,6-trimethylanilino)ethoxy]phenyl]methylideneamino]oxamide.
What is the SMILES notation for N-butyl-N'-[(Z)-[3-ethoxy-4-[2-oxo-2-(2,4,6-trimethylanilino)ethoxy]phenyl]methylideneamino]oxamide?
The canonical SMILES for N-butyl-N'-[(Z)-[3-ethoxy-4-[2-oxo-2-(2,4,6-trimethylanilino)ethoxy]phenyl]methylideneamino]oxamide is CCCCNC(=O)C(=O)N/N=C\c1ccc(OCC(=O)Nc2c(C)cc(C)cc2C)c(OCC)c1.
What is the InChIKey of N-butyl-N'-[(Z)-[3-ethoxy-4-[2-oxo-2-(2,4,6-trimethylanilino)ethoxy]phenyl]methylideneamino]oxamide?
The InChIKey is JYTZMGHJPYFJRX-MBTHVWNTSA-N. The full InChI is InChI=1S/C26H34N4O5/c1-6-8-11-27-25(32)26(33)30-28-15-20-9-10-21(22(14-20)34-7-2)35-16-23(31)29-24-18(4)12-17(3)13-19(24)5/h9-10,12-15H,6-8,11,16H2,1-5H3,(H,27,32)(H,29,31)(H,30,33)/b28-15-.
What are the key properties of N-butyl-N'-[(Z)-[3-ethoxy-4-[2-oxo-2-(2,4,6-trimethylanilino)ethoxy]phenyl]methylideneamino]oxamide?
N-butyl-N'-[(Z)-[3-ethoxy-4-[2-oxo-2-(2,4,6-trimethylanilino)ethoxy]phenyl]methylideneamino]oxamide has a molecular weight of 482.58 g/mol, XLogP of 3.39, 11 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-N'-[(Z)-[3-ethoxy-4-[2-oxo-2-(2,4,6-trimethylanilino)ethoxy]phenyl]methylideneamino]oxamide is sourced from PubChem (CID 126164329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).