N-[1-amino-2-[3-chloro-4-[[2-(dimethylamino)acetyl]amino]-5-methylphenyl]ethylidene]-3-methoxyimino-3-(4-methoxyphenyl)propanamide

C24H30ClN5O4 — CID 90714412

IUPACN-[1-amino-2-[3-chloro-4-[[2-(dimethylamino)acetyl]amino]-5-methylphenyl]ethylidene]-3-methoxyimino-3-(4-methoxyphenyl)propanamide
SMILESCON=C(CC(=O)/N=C(\N)Cc1cc(C)c(NC(=O)CN(C)C)c(Cl)c1)c1ccc(OC)cc1
InChIInChI=1S/C24H30ClN5O4/c1-15-10-16(11-19(25)24(15)28-23(32)14-30(2)3)12-21(26)27-22(31)13-20(29-34-5)17-6-8-18(33-4)9-7-17/h6-11H,12-14H2,1-5H3,(H,28,32)(H2,26,27,31)
InChIKeyWLXKMHABVBNDAV-UHFFFAOYSA-N
MW487.99 g/mol
LogP3.02
Rot. Bonds10

About N-[1-amino-2-[3-chloro-4-[[2-(dimethylamino)acetyl]amino]-5-methylphenyl]ethylidene]-3-methoxyimino-3-(4-methoxyphenyl)propanamide

N-[1-amino-2-[3-chloro-4-[[2-(dimethylamino)acetyl]amino]-5-methylphenyl]ethylidene]-3-methoxyimino-3-(4-methoxyphenyl)propanamide (PubChem CID 90714412) has the molecular formula C24H30ClN5O4 and a molecular weight of 487.99 g/mol. Its IUPAC name is N-[1-amino-2-[3-chloro-4-[[2-(dimethylamino)acetyl]amino]-5-methylphenyl]ethylidene]-3-methoxyimino-3-(4-methoxyphenyl)propanamide.

Molecular Properties

Compound NameN-[1-amino-2-[3-chloro-4-[[2-(dimethylamino)acetyl]amino]-5-methylphenyl]ethylidene]-3-methoxyimino-3-(4-methoxyphenyl)propanamide
PubChem CID90714412
Molecular FormulaC24H30ClN5O4
Molecular Weight487.99 g/mol
Exact Mass487.20
IUPAC NameN-[1-amino-2-[3-chloro-4-[[2-(dimethylamino)acetyl]amino]-5-methylphenyl]ethylidene]-3-methoxyimino-3-(4-methoxyphenyl)propanamide
SMILESCON=C(CC(=O)/N=C(\N)Cc1cc(C)c(NC(=O)CN(C)C)c(Cl)c1)c1ccc(OC)cc1
InChIInChI=1S/C24H30ClN5O4/c1-15-10-16(11-19(25)24(15)28-23(32)14-30(2)3)12-21(26)27-22(31)13-20(29-34-5)17-6-8-18(33-4)9-7-17/h6-11H,12-14H2,1-5H3,(H,28,32)(H2,26,27,31)
InChIKeyWLXKMHABVBNDAV-UHFFFAOYSA-N
XLogP3.02
TPSA118.61 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500487.99
LogP ≤ 53.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze N-[1-amino-2-[3-chloro-4-[[2-(dimethylamino)acetyl]amino]-5-methylphenyl]ethylidene]-3-methoxyimino-3-(4-methoxyphenyl)propanamide 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-[2-[3-chloro-4-[[2-(dimethylamino)acetyl]amino]-5-methylphenyl]ethanimidoyl]-3-methoxyimino-3-(4-methoxyphenyl)propanamide
CID 148920853
N-(2-chloro-4,6-dimethylphenyl)-2-[(4-methoxyphenyl)sulfonyl-methylamino]acetamide
CID 26034267
2-[(4-methoxyphenyl)methyl-methylamino]-N-(2,4,6-trichlorophenyl)acetamide
CID 8761436
N-(4-amino-2,6-dimethylphenyl)-2-(4-methoxyphenyl)acetamide
CID 79993432
2-[[2-(2-chloro-4,6-dimethylanilino)-2-oxoethyl]-methylamino]-N-(3-methoxyphenyl)acetamide
CID 9198306
[(E)-[1-amino-2-(4-chlorophenyl)ethylidene]amino] 4-methoxybenzoate
CID 6279155
N-(3-chloro-4-methylphenyl)-2-[(4-methoxyphenyl)methyl-methylamino]acetamide
CID 8761370
3-(N-acetyl-4-methoxyanilino)-N-(2-chloro-4,6-dimethylphenyl)propanamide
CID 113129157
N-(4-amino-2,6-dichlorophenyl)-4-methoxybenzamide
CID 16774813
2-[2-aminoethyl(methyl)amino]-N-(2-chloro-4,6-dimethylphenyl)acetamide
CID 62687923
2-[(4-methoxyphenyl)carbamoyl-methylamino]-N-(2,4,6-trimethylphenyl)acetamide
CID 51226266
N-(2-amino-4,6-dichlorophenyl)-2-(dimethylamino)acetamide
CID 16789822

Frequently Asked Questions

What is the IUPAC name of N-[1-amino-2-[3-chloro-4-[[2-(dimethylamino)acetyl]amino]-5-methylphenyl]ethylidene]-3-methoxyimino-3-(4-methoxyphenyl)propanamide?
The IUPAC name of N-[1-amino-2-[3-chloro-4-[[2-(dimethylamino)acetyl]amino]-5-methylphenyl]ethylidene]-3-methoxyimino-3-(4-methoxyphenyl)propanamide (CID 90714412) is N-[1-amino-2-[3-chloro-4-[[2-(dimethylamino)acetyl]amino]-5-methylphenyl]ethylidene]-3-methoxyimino-3-(4-methoxyphenyl)propanamide.
What is the SMILES notation for N-[1-amino-2-[3-chloro-4-[[2-(dimethylamino)acetyl]amino]-5-methylphenyl]ethylidene]-3-methoxyimino-3-(4-methoxyphenyl)propanamide?
The canonical SMILES for N-[1-amino-2-[3-chloro-4-[[2-(dimethylamino)acetyl]amino]-5-methylphenyl]ethylidene]-3-methoxyimino-3-(4-methoxyphenyl)propanamide is CON=C(CC(=O)/N=C(\N)Cc1cc(C)c(NC(=O)CN(C)C)c(Cl)c1)c1ccc(OC)cc1.
What is the InChIKey of N-[1-amino-2-[3-chloro-4-[[2-(dimethylamino)acetyl]amino]-5-methylphenyl]ethylidene]-3-methoxyimino-3-(4-methoxyphenyl)propanamide?
The InChIKey is WLXKMHABVBNDAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30ClN5O4/c1-15-10-16(11-19(25)24(15)28-23(32)14-30(2)3)12-21(26)27-22(31)13-20(29-34-5)17-6-8-18(33-4)9-7-17/h6-11H,12-14H2,1-5H3,(H,28,32)(H2,26,27,31).
What are the key properties of N-[1-amino-2-[3-chloro-4-[[2-(dimethylamino)acetyl]amino]-5-methylphenyl]ethylidene]-3-methoxyimino-3-(4-methoxyphenyl)propanamide?
N-[1-amino-2-[3-chloro-4-[[2-(dimethylamino)acetyl]amino]-5-methylphenyl]ethylidene]-3-methoxyimino-3-(4-methoxyphenyl)propanamide has a molecular weight of 487.99 g/mol, XLogP of 3.02, 10 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-amino-2-[3-chloro-4-[[2-(dimethylamino)acetyl]amino]-5-methylphenyl]ethylidene]-3-methoxyimino-3-(4-methoxyphenyl)propanamide is sourced from PubChem (CID 90714412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).