N'-[(Z)-[3-ethoxy-4-[(4-methylphenyl)methoxy]phenyl]methylideneamino]-N-(3-methoxypropyl)oxamide

C23H29N3O5 — CID 8902389

IUPACN'-[(Z)-[3-ethoxy-4-[(4-methylphenyl)methoxy]phenyl]methylideneamino]-N-(3-methoxypropyl)oxamide
SMILESCCOc1cc(/C=N\NC(=O)C(=O)NCCCOC)ccc1OCc1ccc(C)cc1
InChIInChI=1S/C23H29N3O5/c1-4-30-21-14-19(15-25-26-23(28)22(27)24-12-5-13-29-3)10-11-20(21)31-16-18-8-6-17(2)7-9-18/h6-11,14-15H,4-5,12-13,16H2,1-3H3,(H,24,27)(H,26,28)/b25-15-
InChIKeyQODPBHKZAQPCBH-MYYYXRDXSA-N
MW427.50 g/mol
LogP2.58
Rot. Bonds11

About N'-[(Z)-[3-ethoxy-4-[(4-methylphenyl)methoxy]phenyl]methylideneamino]-N-(3-methoxypropyl)oxamide

N'-[(Z)-[3-ethoxy-4-[(4-methylphenyl)methoxy]phenyl]methylideneamino]-N-(3-methoxypropyl)oxamide (PubChem CID 8902389) has the molecular formula C23H29N3O5 and a molecular weight of 427.50 g/mol. Its IUPAC name is N'-[(Z)-[3-ethoxy-4-[(4-methylphenyl)methoxy]phenyl]methylideneamino]-N-(3-methoxypropyl)oxamide.

Molecular Properties

Compound NameN'-[(Z)-[3-ethoxy-4-[(4-methylphenyl)methoxy]phenyl]methylideneamino]-N-(3-methoxypropyl)oxamide
PubChem CID8902389
Molecular FormulaC23H29N3O5
Molecular Weight427.50 g/mol
Exact Mass427.21
IUPAC NameN'-[(Z)-[3-ethoxy-4-[(4-methylphenyl)methoxy]phenyl]methylideneamino]-N-(3-methoxypropyl)oxamide
SMILESCCOc1cc(/C=N\NC(=O)C(=O)NCCCOC)ccc1OCc1ccc(C)cc1
InChIInChI=1S/C23H29N3O5/c1-4-30-21-14-19(15-25-26-23(28)22(27)24-12-5-13-29-3)10-11-20(21)31-16-18-8-6-17(2)7-9-18/h6-11,14-15H,4-5,12-13,16H2,1-3H3,(H,24,27)(H,26,28)/b25-15-
InChIKeyQODPBHKZAQPCBH-MYYYXRDXSA-N
XLogP2.58
TPSA98.25 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.50
LogP ≤ 52.58
H-Bond Donors ≤ 52
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'-[(Z)-[3-ethoxy-4-[(4-methylphenyl)methoxy]phenyl]methylideneamino]-N-prop-2-enyloxamide
CID 8902393
N'-[(Z)-[4-[2-(3,5-dimethylanilino)-2-oxoethoxy]-3-ethoxyphenyl]methylideneamino]-N-(3-methoxypropyl)oxamide
CID 126169635
N'-[(Z)-(3,4-diethoxyphenyl)methylideneamino]-N-[(4-methylphenyl)methyl]oxamide
CID 8932041
N-(3-methoxypropyl)-N'-[(E)-(4-methylphenyl)methylideneamino]oxamide
CID 46741726
N-[(2S)-butan-2-yl]-N'-[(Z)-[3-ethoxy-4-[(4-methylphenyl)methoxy]phenyl]methylideneamino]oxamide
CID 8902430
3-ethoxy-N-[(E)-[3-ethoxy-4-[(4-methylphenyl)methoxy]phenyl]methylideneamino]-4-methoxybenzamide
CID 126308611
4-ethoxy-N-[(Z)-[3-ethoxy-4-[(4-methylphenyl)methoxy]phenyl]methylideneamino]benzamide
CID 29148864
N'-[[4-[(4-chlorophenyl)methoxy]-3-ethoxyphenyl]methylideneamino]-N-(2,5-dimethylphenyl)oxamide
CID 3371098
2-(2,4-dimethylphenyl)-N-[(E)-[3-ethoxy-4-[(4-methylphenyl)methoxy]phenyl]methylideneamino]acetamide
CID 133144043
N-[2-[(2Z)-2-[[4-[(4-chlorophenyl)methoxy]-3-ethoxyphenyl]methylidene]hydrazinyl]-2-oxoethyl]-4-methylbenzamide
CID 6247391
N'-[(E)-[3-ethoxy-4-[(3-methylphenyl)methoxy]phenyl]methylideneamino]-N-(4-methylphenyl)oxamide
CID 19660242
N'-[(Z)-[3-chloro-4-[(4-methylphenyl)methoxy]phenyl]methylideneamino]-N-ethyloxamide
CID 8902259

Frequently Asked Questions

What is the IUPAC name of N'-[(Z)-[3-ethoxy-4-[(4-methylphenyl)methoxy]phenyl]methylideneamino]-N-(3-methoxypropyl)oxamide?
The IUPAC name of N'-[(Z)-[3-ethoxy-4-[(4-methylphenyl)methoxy]phenyl]methylideneamino]-N-(3-methoxypropyl)oxamide (CID 8902389) is N'-[(Z)-[3-ethoxy-4-[(4-methylphenyl)methoxy]phenyl]methylideneamino]-N-(3-methoxypropyl)oxamide.
What is the SMILES notation for N'-[(Z)-[3-ethoxy-4-[(4-methylphenyl)methoxy]phenyl]methylideneamino]-N-(3-methoxypropyl)oxamide?
The canonical SMILES for N'-[(Z)-[3-ethoxy-4-[(4-methylphenyl)methoxy]phenyl]methylideneamino]-N-(3-methoxypropyl)oxamide is CCOc1cc(/C=N\NC(=O)C(=O)NCCCOC)ccc1OCc1ccc(C)cc1.
What is the InChIKey of N'-[(Z)-[3-ethoxy-4-[(4-methylphenyl)methoxy]phenyl]methylideneamino]-N-(3-methoxypropyl)oxamide?
The InChIKey is QODPBHKZAQPCBH-MYYYXRDXSA-N. The full InChI is InChI=1S/C23H29N3O5/c1-4-30-21-14-19(15-25-26-23(28)22(27)24-12-5-13-29-3)10-11-20(21)31-16-18-8-6-17(2)7-9-18/h6-11,14-15H,4-5,12-13,16H2,1-3H3,(H,24,27)(H,26,28)/b25-15-.
What are the key properties of N'-[(Z)-[3-ethoxy-4-[(4-methylphenyl)methoxy]phenyl]methylideneamino]-N-(3-methoxypropyl)oxamide?
N'-[(Z)-[3-ethoxy-4-[(4-methylphenyl)methoxy]phenyl]methylideneamino]-N-(3-methoxypropyl)oxamide has a molecular weight of 427.50 g/mol, XLogP of 2.58, 11 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(Z)-[3-ethoxy-4-[(4-methylphenyl)methoxy]phenyl]methylideneamino]-N-(3-methoxypropyl)oxamide is sourced from PubChem (CID 8902389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).