N,N-dimethyl-4-[[2-[(E)-1-[4-[(3-methylphenyl)methoxy]phenyl]ethylideneamino]oxyacetyl]amino]benzamide

C27H29N3O4 — CID 95303208

IUPACN,N-dimethyl-4-[[2-[(E)-1-[4-[(3-methylphenyl)methoxy]phenyl]ethylideneamino]oxyacetyl]amino]benzamide
SMILESC/C(=N\OCC(=O)Nc1ccc(C(=O)N(C)C)cc1)c1ccc(OCc2cccc(C)c2)cc1
InChIInChI=1S/C27H29N3O4/c1-19-6-5-7-21(16-19)17-33-25-14-10-22(11-15-25)20(2)29-34-18-26(31)28-24-12-8-23(9-13-24)27(32)30(3)4/h5-16H,17-18H2,1-4H3,(H,28,31)/b29-20+
InChIKeyWEQVXUFWJBXWSW-ZTKZIYFRSA-N
MW459.55 g/mol
LogP4.66
Rot. Bonds9

About N,N-dimethyl-4-[[2-[(E)-1-[4-[(3-methylphenyl)methoxy]phenyl]ethylideneamino]oxyacetyl]amino]benzamide

N,N-dimethyl-4-[[2-[(E)-1-[4-[(3-methylphenyl)methoxy]phenyl]ethylideneamino]oxyacetyl]amino]benzamide (PubChem CID 95303208) has the molecular formula C27H29N3O4 and a molecular weight of 459.55 g/mol. Its IUPAC name is N,N-dimethyl-4-[[2-[(E)-1-[4-[(3-methylphenyl)methoxy]phenyl]ethylideneamino]oxyacetyl]amino]benzamide.

Molecular Properties

Compound NameN,N-dimethyl-4-[[2-[(E)-1-[4-[(3-methylphenyl)methoxy]phenyl]ethylideneamino]oxyacetyl]amino]benzamide
PubChem CID95303208
Molecular FormulaC27H29N3O4
Molecular Weight459.55 g/mol
Exact Mass459.22
IUPAC NameN,N-dimethyl-4-[[2-[(E)-1-[4-[(3-methylphenyl)methoxy]phenyl]ethylideneamino]oxyacetyl]amino]benzamide
SMILESC/C(=N\OCC(=O)Nc1ccc(C(=O)N(C)C)cc1)c1ccc(OCc2cccc(C)c2)cc1
InChIInChI=1S/C27H29N3O4/c1-19-6-5-7-21(16-19)17-33-25-14-10-22(11-15-25)20(2)29-34-18-26(31)28-24-12-8-23(9-13-24)27(32)30(3)4/h5-16H,17-18H2,1-4H3,(H,28,31)/b29-20+
InChIKeyWEQVXUFWJBXWSW-ZTKZIYFRSA-N
XLogP4.66
TPSA80.23 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500459.55
LogP ≤ 54.66
H-Bond Donors ≤ 51
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'}

Analyze N,N-dimethyl-4-[[2-[(E)-1-[4-[(3-methylphenyl)methoxy]phenyl]ethylideneamino]oxyacetyl]amino]benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[4-[(3-methylphenyl)methoxy]phenyl]acetamide
CID 8522252
1-methoxy-1-methyl-3-[4-[(3-methylphenyl)methoxy]phenyl]urea
CID 12893509
2-(3-methylphenyl)-N-(4-phenylmethoxyphenyl)acetamide
CID 113098761
[2-[4-(dimethylcarbamoyl)anilino]-2-oxoethyl] 3-phenylmethoxybenzoate
CID 40910833
N,4-dimethyl-N-[4-[2-(3-methylanilino)-2-oxoethoxy]phenyl]benzamide
CID 23905666
4-[(2E)-2-[[4-[(3-methylphenyl)methoxy]phenyl]methylidene]hydrazinyl]benzoic acid
CID 110339795
3-[[2-(4-acetylphenoxy)acetyl]amino]-N,N-dimethylbenzamide
CID 32627222
4-[[2-(2-iodo-5-methylphenoxy)acetyl]amino]-N,N-dimethylbenzamide
CID 71864680
2-[(E)-1-(4-acetamidophenyl)ethylideneamino]oxy-N-(3-chlorophenyl)acetamide
CID 46698554
2-[(E)-[amino(phenyl)methylidene]amino]oxy-N-(4-phenylmethoxyphenyl)acetamide
CID 7613199
2-[(E)-1-[4-[(2-methylphenyl)methoxy]phenyl]ethylideneamino]oxy-N-(4-morpholin-4-ylphenyl)acetamide
CID 95568228
4-[[2-(4-tert-butylphenoxy)acetyl]amino]-N,N-dimethylbenzamide
CID 7703623

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-4-[[2-[(E)-1-[4-[(3-methylphenyl)methoxy]phenyl]ethylideneamino]oxyacetyl]amino]benzamide?
The IUPAC name of N,N-dimethyl-4-[[2-[(E)-1-[4-[(3-methylphenyl)methoxy]phenyl]ethylideneamino]oxyacetyl]amino]benzamide (CID 95303208) is N,N-dimethyl-4-[[2-[(E)-1-[4-[(3-methylphenyl)methoxy]phenyl]ethylideneamino]oxyacetyl]amino]benzamide.
What is the SMILES notation for N,N-dimethyl-4-[[2-[(E)-1-[4-[(3-methylphenyl)methoxy]phenyl]ethylideneamino]oxyacetyl]amino]benzamide?
The canonical SMILES for N,N-dimethyl-4-[[2-[(E)-1-[4-[(3-methylphenyl)methoxy]phenyl]ethylideneamino]oxyacetyl]amino]benzamide is C/C(=N\OCC(=O)Nc1ccc(C(=O)N(C)C)cc1)c1ccc(OCc2cccc(C)c2)cc1.
What is the InChIKey of N,N-dimethyl-4-[[2-[(E)-1-[4-[(3-methylphenyl)methoxy]phenyl]ethylideneamino]oxyacetyl]amino]benzamide?
The InChIKey is WEQVXUFWJBXWSW-ZTKZIYFRSA-N. The full InChI is InChI=1S/C27H29N3O4/c1-19-6-5-7-21(16-19)17-33-25-14-10-22(11-15-25)20(2)29-34-18-26(31)28-24-12-8-23(9-13-24)27(32)30(3)4/h5-16H,17-18H2,1-4H3,(H,28,31)/b29-20+.
What are the key properties of N,N-dimethyl-4-[[2-[(E)-1-[4-[(3-methylphenyl)methoxy]phenyl]ethylideneamino]oxyacetyl]amino]benzamide?
N,N-dimethyl-4-[[2-[(E)-1-[4-[(3-methylphenyl)methoxy]phenyl]ethylideneamino]oxyacetyl]amino]benzamide has a molecular weight of 459.55 g/mol, XLogP of 4.66, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-4-[[2-[(E)-1-[4-[(3-methylphenyl)methoxy]phenyl]ethylideneamino]oxyacetyl]amino]benzamide is sourced from PubChem (CID 95303208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).