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

C27H29N3O4 — CID 5455662

IUPACN-[(Z)-[4-[2-(3,4-dimethylanilino)-2-oxoethoxy]-3-ethoxyphenyl]methylideneamino]-2-phenylacetamide
SMILESCCOc1cc(/C=N\NC(=O)Cc2ccccc2)ccc1OCC(=O)Nc1ccc(C)c(C)c1
InChIInChI=1S/C27H29N3O4/c1-4-33-25-15-22(17-28-30-26(31)16-21-8-6-5-7-9-21)11-13-24(25)34-18-27(32)29-23-12-10-19(2)20(3)14-23/h5-15,17H,4,16,18H2,1-3H3,(H,29,32)(H,30,31)/b28-17-
InChIKeyBONWHZNBACQUGP-QRQIAZFYSA-N
MW459.55 g/mol
LogP4.41
Rot. Bonds10

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

N-[(Z)-[4-[2-(3,4-dimethylanilino)-2-oxoethoxy]-3-ethoxyphenyl]methylideneamino]-2-phenylacetamide (PubChem CID 5455662) has the molecular formula C27H29N3O4 and a molecular weight of 459.55 g/mol. Its IUPAC name is N-[(Z)-[4-[2-(3,4-dimethylanilino)-2-oxoethoxy]-3-ethoxyphenyl]methylideneamino]-2-phenylacetamide.

Molecular Properties

Compound NameN-[(Z)-[4-[2-(3,4-dimethylanilino)-2-oxoethoxy]-3-ethoxyphenyl]methylideneamino]-2-phenylacetamide
PubChem CID5455662
Molecular FormulaC27H29N3O4
Molecular Weight459.55 g/mol
Exact Mass459.22
IUPAC NameN-[(Z)-[4-[2-(3,4-dimethylanilino)-2-oxoethoxy]-3-ethoxyphenyl]methylideneamino]-2-phenylacetamide
SMILESCCOc1cc(/C=N\NC(=O)Cc2ccccc2)ccc1OCC(=O)Nc1ccc(C)c(C)c1
InChIInChI=1S/C27H29N3O4/c1-4-33-25-15-22(17-28-30-26(31)16-21-8-6-5-7-9-21)11-13-24(25)34-18-27(32)29-23-12-10-19(2)20(3)14-23/h5-15,17H,4,16,18H2,1-3H3,(H,29,32)(H,30,31)/b28-17-
InChIKeyBONWHZNBACQUGP-QRQIAZFYSA-N
XLogP4.41
TPSA89.02 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500459.55
LogP ≤ 54.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-{4-[2-(aminocarbothioyl)carbohydrazonoyl]-2-methoxyphenoxy}-N-(4-methylphenyl)acetamide
CID 6874331
2-[4-[(E)-(carbamoylhydrazinylidene)methyl]-2-methoxyphenoxy]-N-(3,4-dimethylphenyl)acetamide
CID 6876206
(2E)-2-(4-{2-[(3,4-dimethylphenyl)amino]-2-oxoethoxy}-3-ethoxybenzylidene)hydrazinecarboxamide
CID 6876207
2-[4-[(E)-(carbamothioylhydrazinylidene)methyl]-2-methoxyphenoxy]-N-(3,4-dimethylphenyl)acetamide
CID 6876210
N'-(3,4-dimethoxybenzylidene)-2-hydroxy-4-quinolinecarbohydrazide
CID 5347123
[2-ethoxy-4-[(Z)-[[4-(propanoylamino)benzoyl]hydrazinylidene]methyl]phenyl] benzoate
CID 5430393
[4-[(Z)-[[4-(2,2-dimethylpropanoylamino)benzoyl]hydrazinylidene]methyl]-2-ethoxyphenyl] 4-methylbenzoate
CID 5569475
N-(3,4-dimethylphenyl)-2-[2-methoxy-4-[(Z)-[(4-nitrophenyl)hydrazinylidene]methyl]phenoxy]acetamide
CID 5879932
2-{4-[2-(aminocarbonyl)carbohydrazonoyl]-2-methoxyphenoxy}-N-(2-bromo-4,5-dimethylphenyl)acetamide
CID 6876208
N-(3-{N'-[(E)-(2H-1,3-Benzodioxol-5-YL)methylidene]hydrazinecarbonyl}phenyl)-2-methylbenzamide
CID 9552638
2-{2-methoxy-4-[2-(3-methylbenzoyl)carbohydrazonoyl]phenoxy}-N-phenylacetamide
CID 9563824
N-Phenyl-2-[4-(phenylacetyl-hydrazonomethyl)-phenoxy]-acetamide
CID 9564307

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-[4-[2-(3,4-dimethylanilino)-2-oxoethoxy]-3-ethoxyphenyl]methylideneamino]-2-phenylacetamide?
The IUPAC name of N-[(Z)-[4-[2-(3,4-dimethylanilino)-2-oxoethoxy]-3-ethoxyphenyl]methylideneamino]-2-phenylacetamide (CID 5455662) is N-[(Z)-[4-[2-(3,4-dimethylanilino)-2-oxoethoxy]-3-ethoxyphenyl]methylideneamino]-2-phenylacetamide.
What is the SMILES notation for N-[(Z)-[4-[2-(3,4-dimethylanilino)-2-oxoethoxy]-3-ethoxyphenyl]methylideneamino]-2-phenylacetamide?
The canonical SMILES for N-[(Z)-[4-[2-(3,4-dimethylanilino)-2-oxoethoxy]-3-ethoxyphenyl]methylideneamino]-2-phenylacetamide is CCOc1cc(/C=N\NC(=O)Cc2ccccc2)ccc1OCC(=O)Nc1ccc(C)c(C)c1.
What is the InChIKey of N-[(Z)-[4-[2-(3,4-dimethylanilino)-2-oxoethoxy]-3-ethoxyphenyl]methylideneamino]-2-phenylacetamide?
The InChIKey is BONWHZNBACQUGP-QRQIAZFYSA-N. The full InChI is InChI=1S/C27H29N3O4/c1-4-33-25-15-22(17-28-30-26(31)16-21-8-6-5-7-9-21)11-13-24(25)34-18-27(32)29-23-12-10-19(2)20(3)14-23/h5-15,17H,4,16,18H2,1-3H3,(H,29,32)(H,30,31)/b28-17-.
What are the key properties of N-[(Z)-[4-[2-(3,4-dimethylanilino)-2-oxoethoxy]-3-ethoxyphenyl]methylideneamino]-2-phenylacetamide?
N-[(Z)-[4-[2-(3,4-dimethylanilino)-2-oxoethoxy]-3-ethoxyphenyl]methylideneamino]-2-phenylacetamide has a molecular weight of 459.55 g/mol, XLogP of 4.41, 10 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-[4-[2-(3,4-dimethylanilino)-2-oxoethoxy]-3-ethoxyphenyl]methylideneamino]-2-phenylacetamide is sourced from PubChem (CID 5455662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).