N'-[(5-chloro-2-propoxyphenyl)methylideneamino]-N-(4-methylphenyl)propanediamide

C20H22ClN3O3 — CID 4011223

IUPACN'-[(5-chloro-2-propoxyphenyl)methylideneamino]-N-(4-methylphenyl)propanediamide
SMILESCCCOc1ccc(Cl)cc1C=NNC(=O)CC(=O)Nc1ccc(C)cc1
InChIInChI=1S/C20H22ClN3O3/c1-3-10-27-18-9-6-16(21)11-15(18)13-22-24-20(26)12-19(25)23-17-7-4-14(2)5-8-17/h4-9,11,13H,3,10,12H2,1-2H3,(H,23,25)(H,24,26)
InChIKeyMEYUTDKGJQJHDE-UHFFFAOYSA-N
MW387.87 g/mol
LogP3.92
Rot. Bonds8

About N'-[(5-chloro-2-propoxyphenyl)methylideneamino]-N-(4-methylphenyl)propanediamide

N'-[(5-chloro-2-propoxyphenyl)methylideneamino]-N-(4-methylphenyl)propanediamide (PubChem CID 4011223) has the molecular formula C20H22ClN3O3 and a molecular weight of 387.87 g/mol. Its IUPAC name is N'-[(5-chloro-2-propoxyphenyl)methylideneamino]-N-(4-methylphenyl)propanediamide.

Molecular Properties

Compound NameN'-[(5-chloro-2-propoxyphenyl)methylideneamino]-N-(4-methylphenyl)propanediamide
PubChem CID4011223
Molecular FormulaC20H22ClN3O3
Molecular Weight387.87 g/mol
Exact Mass387.13
IUPAC NameN'-[(5-chloro-2-propoxyphenyl)methylideneamino]-N-(4-methylphenyl)propanediamide
SMILESCCCOc1ccc(Cl)cc1C=NNC(=O)CC(=O)Nc1ccc(C)cc1
InChIInChI=1S/C20H22ClN3O3/c1-3-10-27-18-9-6-16(21)11-15(18)13-22-24-20(26)12-19(25)23-17-7-4-14(2)5-8-17/h4-9,11,13H,3,10,12H2,1-2H3,(H,23,25)(H,24,26)
InChIKeyMEYUTDKGJQJHDE-UHFFFAOYSA-N
XLogP3.92
TPSA79.79 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.87
LogP ≤ 53.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N'-[(5-chloro-2-propoxyphenyl)methylideneamino]-N-(4-methylphenyl)propanediamide 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'-[(5-bromo-2-butoxyphenyl)methylideneamino]-N-(4-methylphenyl)propanediamide
CID 3508807
N'-[(3-ethoxy-4-propoxyphenyl)methylideneamino]-N-(4-methylphenyl)propanediamide
CID 5126791
N'-[(Z)-(5-chloro-2-propoxyphenyl)methylideneamino]-N-(4-methoxyphenyl)oxamide
CID 8988867
N'-[(Z)-[5-chloro-2-[2-(2,5-dimethylanilino)-2-oxoethoxy]phenyl]methylideneamino]-N-(4-propoxyphenyl)oxamide
CID 126181289
N'-[[5-chloro-2-[(3-chlorophenyl)methoxy]phenyl]methylideneamino]-N-phenylpropanediamide
CID 3274983
N-[(E)-[2-(2-anilino-2-oxoethoxy)-5-chlorophenyl]methylideneamino]-4-methylbenzamide
CID 126274347
N-[(E)-[5-chloro-2-[2-(4-methylanilino)-2-oxoethoxy]phenyl]methylideneamino]-3,4-dimethoxybenzamide
CID 126332303
N'-[[5-chloro-2-[(3-chlorophenyl)methoxy]phenyl]methylideneamino]-N-(4-methoxyphenyl)propanediamide
CID 3656998
N-(2-bromophenyl)-N'-[(5-chloro-2-ethoxyphenyl)methylideneamino]propanediamide
CID 5206376
N'-[[5-chloro-2-[(4-cyanophenyl)methoxy]phenyl]methylideneamino]-N-(4-ethoxyphenyl)propanediamide
CID 4561715
N-(3-chloro-4-methylphenyl)-N'-[(5-chloro-2-propan-2-yloxyphenyl)methylideneamino]propanediamide
CID 4008012
N-[(E)-[5-chloro-2-[2-(3,4-dimethylanilino)-2-oxoethoxy]phenyl]methylideneamino]-4-methylbenzamide
CID 126261404

Frequently Asked Questions

What is the IUPAC name of N'-[(5-chloro-2-propoxyphenyl)methylideneamino]-N-(4-methylphenyl)propanediamide?
The IUPAC name of N'-[(5-chloro-2-propoxyphenyl)methylideneamino]-N-(4-methylphenyl)propanediamide (CID 4011223) is N'-[(5-chloro-2-propoxyphenyl)methylideneamino]-N-(4-methylphenyl)propanediamide.
What is the SMILES notation for N'-[(5-chloro-2-propoxyphenyl)methylideneamino]-N-(4-methylphenyl)propanediamide?
The canonical SMILES for N'-[(5-chloro-2-propoxyphenyl)methylideneamino]-N-(4-methylphenyl)propanediamide is CCCOc1ccc(Cl)cc1C=NNC(=O)CC(=O)Nc1ccc(C)cc1.
What is the InChIKey of N'-[(5-chloro-2-propoxyphenyl)methylideneamino]-N-(4-methylphenyl)propanediamide?
The InChIKey is MEYUTDKGJQJHDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22ClN3O3/c1-3-10-27-18-9-6-16(21)11-15(18)13-22-24-20(26)12-19(25)23-17-7-4-14(2)5-8-17/h4-9,11,13H,3,10,12H2,1-2H3,(H,23,25)(H,24,26).
What are the key properties of N'-[(5-chloro-2-propoxyphenyl)methylideneamino]-N-(4-methylphenyl)propanediamide?
N'-[(5-chloro-2-propoxyphenyl)methylideneamino]-N-(4-methylphenyl)propanediamide has a molecular weight of 387.87 g/mol, XLogP of 3.92, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(5-chloro-2-propoxyphenyl)methylideneamino]-N-(4-methylphenyl)propanediamide is sourced from PubChem (CID 4011223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).