N-(4-ethoxyphenyl)-N'-[(3-ethoxy-4-propan-2-yloxyphenyl)methylideneamino]butanediamide

C24H31N3O5 — CID 4272278

IUPACN-(4-ethoxyphenyl)-N'-[(3-ethoxy-4-propan-2-yloxyphenyl)methylideneamino]butanediamide
SMILESCCOc1ccc(NC(=O)CCC(=O)NN=Cc2ccc(OC(C)C)c(OCC)c2)cc1
InChIInChI=1S/C24H31N3O5/c1-5-30-20-10-8-19(9-11-20)26-23(28)13-14-24(29)27-25-16-18-7-12-21(32-17(3)4)22(15-18)31-6-2/h7-12,15-17H,5-6,13-14H2,1-4H3,(H,26,28)(H,27,29)
InChIKeyUAPKVQDSCPHAQK-UHFFFAOYSA-N
MW441.53 g/mol
LogP4.14
Rot. Bonds12

About N-(4-ethoxyphenyl)-N'-[(3-ethoxy-4-propan-2-yloxyphenyl)methylideneamino]butanediamide

N-(4-ethoxyphenyl)-N'-[(3-ethoxy-4-propan-2-yloxyphenyl)methylideneamino]butanediamide (PubChem CID 4272278) has the molecular formula C24H31N3O5 and a molecular weight of 441.53 g/mol. Its IUPAC name is N-(4-ethoxyphenyl)-N'-[(3-ethoxy-4-propan-2-yloxyphenyl)methylideneamino]butanediamide.

Molecular Properties

Compound NameN-(4-ethoxyphenyl)-N'-[(3-ethoxy-4-propan-2-yloxyphenyl)methylideneamino]butanediamide
PubChem CID4272278
Molecular FormulaC24H31N3O5
Molecular Weight441.53 g/mol
Exact Mass441.23
IUPAC NameN-(4-ethoxyphenyl)-N'-[(3-ethoxy-4-propan-2-yloxyphenyl)methylideneamino]butanediamide
SMILESCCOc1ccc(NC(=O)CCC(=O)NN=Cc2ccc(OC(C)C)c(OCC)c2)cc1
InChIInChI=1S/C24H31N3O5/c1-5-30-20-10-8-19(9-11-20)26-23(28)13-14-24(29)27-25-16-18-7-12-21(32-17(3)4)22(15-18)31-6-2/h7-12,15-17H,5-6,13-14H2,1-4H3,(H,26,28)(H,27,29)
InChIKeyUAPKVQDSCPHAQK-UHFFFAOYSA-N
XLogP4.14
TPSA98.25 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds12
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.53
LogP ≤ 54.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze N-(4-ethoxyphenyl)-N'-[(3-ethoxy-4-propan-2-yloxyphenyl)methylideneamino]butanediamide 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-ethoxy-3-methoxyphenyl)methylideneamino]-N-(4-ethoxyphenyl)butanediamide
CID 4557774
N-(4-methoxyphenyl)-N'-[(3-methoxy-4-propan-2-yloxyphenyl)methylideneamino]butanediamide
CID 4027712
N-[(E)-(3-ethoxy-4-propan-2-yloxyphenyl)methylideneamino]pentanamide
CID 110506843
N-(2,3-dimethylphenyl)-N'-[(3-ethoxy-4-propan-2-yloxyphenyl)methylideneamino]butanediamide
CID 3901107
N'-[(4-butoxy-3-ethoxyphenyl)methylideneamino]-N-(4-methoxyphenyl)butanediamide
CID 4540301
methyl 2-[2-ethoxy-4-[[[4-(4-methoxyanilino)-4-oxobutanoyl]hydrazinylidene]methyl]phenoxy]acetate
CID 4019862
N'-[(4-butoxy-3-ethoxyphenyl)methylideneamino]-N-(4-methylphenyl)butanediamide
CID 3961761
ethyl 2-[2-ethoxy-4-[[[4-(4-methoxyanilino)-4-oxobutanoyl]hydrazinylidene]methyl]phenoxy]acetate
CID 3669831
N'-[(4-ethoxyphenyl)methylideneamino]-N-(4-methoxyphenyl)butanediamide
CID 3986274
N'-[(3-ethoxy-4-hydroxyphenyl)methylideneamino]-N-(4-ethoxyphenyl)propanediamide
CID 3883682
methyl 2-[4-[[(4-anilino-4-oxobutanoyl)hydrazinylidene]methyl]-2-ethoxyphenoxy]acetate
CID 3460945
N-(4-bromophenyl)-N'-[(4-ethoxy-3-hydroxyphenyl)methylideneamino]butanediamide
CID 5016770

Frequently Asked Questions

What is the IUPAC name of N-(4-ethoxyphenyl)-N'-[(3-ethoxy-4-propan-2-yloxyphenyl)methylideneamino]butanediamide?
The IUPAC name of N-(4-ethoxyphenyl)-N'-[(3-ethoxy-4-propan-2-yloxyphenyl)methylideneamino]butanediamide (CID 4272278) is N-(4-ethoxyphenyl)-N'-[(3-ethoxy-4-propan-2-yloxyphenyl)methylideneamino]butanediamide.
What is the SMILES notation for N-(4-ethoxyphenyl)-N'-[(3-ethoxy-4-propan-2-yloxyphenyl)methylideneamino]butanediamide?
The canonical SMILES for N-(4-ethoxyphenyl)-N'-[(3-ethoxy-4-propan-2-yloxyphenyl)methylideneamino]butanediamide is CCOc1ccc(NC(=O)CCC(=O)NN=Cc2ccc(OC(C)C)c(OCC)c2)cc1.
What is the InChIKey of N-(4-ethoxyphenyl)-N'-[(3-ethoxy-4-propan-2-yloxyphenyl)methylideneamino]butanediamide?
The InChIKey is UAPKVQDSCPHAQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H31N3O5/c1-5-30-20-10-8-19(9-11-20)26-23(28)13-14-24(29)27-25-16-18-7-12-21(32-17(3)4)22(15-18)31-6-2/h7-12,15-17H,5-6,13-14H2,1-4H3,(H,26,28)(H,27,29).
What are the key properties of N-(4-ethoxyphenyl)-N'-[(3-ethoxy-4-propan-2-yloxyphenyl)methylideneamino]butanediamide?
N-(4-ethoxyphenyl)-N'-[(3-ethoxy-4-propan-2-yloxyphenyl)methylideneamino]butanediamide has a molecular weight of 441.53 g/mol, XLogP of 4.14, 12 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-ethoxyphenyl)-N'-[(3-ethoxy-4-propan-2-yloxyphenyl)methylideneamino]butanediamide is sourced from PubChem (CID 4272278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).