N-(4-acetamidophenyl)-N'-[(E)-[4-(dimethylamino)phenyl]methylideneamino]butanediamide

C21H25N5O3 — CID 171981399

IUPACN-(4-acetamidophenyl)-N'-[(E)-[4-(dimethylamino)phenyl]methylideneamino]butanediamide
SMILESCC(=O)Nc1ccc(NC(=O)CCC(=O)N/N=C/c2ccc(N(C)C)cc2)cc1
InChIInChI=1S/C21H25N5O3/c1-15(27)23-17-6-8-18(9-7-17)24-20(28)12-13-21(29)25-22-14-16-4-10-19(11-5-16)26(2)3/h4-11,14H,12-13H2,1-3H3,(H,23,27)(H,24,28)(H,25,29)/b22-14+
InChIKeyVCXHRNTXKVMPOW-HYARGMPZSA-N
MW395.46 g/mol
LogP2.58
Rot. Bonds8

About N-(4-acetamidophenyl)-N'-[(E)-[4-(dimethylamino)phenyl]methylideneamino]butanediamide

N-(4-acetamidophenyl)-N'-[(E)-[4-(dimethylamino)phenyl]methylideneamino]butanediamide (PubChem CID 171981399) has the molecular formula C21H25N5O3 and a molecular weight of 395.46 g/mol. Its IUPAC name is N-(4-acetamidophenyl)-N'-[(E)-[4-(dimethylamino)phenyl]methylideneamino]butanediamide.

Molecular Properties

Compound NameN-(4-acetamidophenyl)-N'-[(E)-[4-(dimethylamino)phenyl]methylideneamino]butanediamide
PubChem CID171981399
Molecular FormulaC21H25N5O3
Molecular Weight395.46 g/mol
Exact Mass395.20
IUPAC NameN-(4-acetamidophenyl)-N'-[(E)-[4-(dimethylamino)phenyl]methylideneamino]butanediamide
SMILESCC(=O)Nc1ccc(NC(=O)CCC(=O)N/N=C/c2ccc(N(C)C)cc2)cc1
InChIInChI=1S/C21H25N5O3/c1-15(27)23-17-6-8-18(9-7-17)24-20(28)12-13-21(29)25-22-14-16-4-10-19(11-5-16)26(2)3/h4-11,14H,12-13H2,1-3H3,(H,23,27)(H,24,28)(H,25,29)/b22-14+
InChIKeyVCXHRNTXKVMPOW-HYARGMPZSA-N
XLogP2.58
TPSA102.90 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.46
LogP ≤ 52.58
H-Bond Donors ≤ 53
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-(4-acetamidophenyl)-N'-[(E)-[4-(dimethylamino)phenyl]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-[(E)-[4-(dimethylamino)phenyl]methylideneamino]-N'-[(Z)-[4-(dimethylamino)phenyl]methylideneamino]hexanediamide
CID 92856210
N-(3-chlorophenyl)-N'-[[4-(dimethylamino)phenyl]methylideneamino]butanediamide
CID 3280899
N-[(4-acetamidophenyl)methylideneamino]-4-(dimethylamino)benzamide
CID 4105739
N-[(E)-[4-(dimethylamino)phenyl]methylideneamino]propanamide
CID 22613567
N-(2,4-dichlorophenyl)-N'-[[4-(dimethylamino)phenyl]methylideneamino]butanediamide
CID 5229962
N-[(4-acetamidophenyl)methylideneamino]-2-hydroxyacetamide
CID 20982377
N-[(Z)-[4-(dimethylamino)phenyl]methylideneamino]-3-methylbutanamide
CID 5407219
N-cyclohexyl-N'-[(E)-[4-(dimethylamino)phenyl]methylideneamino]butanediamide
CID 51064202
1-[(Z)-[4-(dimethylamino)phenyl]methylideneamino]-3-[[4-(dimethylamino)phenyl]methylideneamino]urea
CID 5355984
N-[[4-(dimethylamino)phenyl]methylideneamino]-4-(4-hydroxyphenyl)butanamide
CID 4245734
1-[(E)-[4-(dimethylamino)phenyl]methylideneamino]-3-phenylurea
CID 6875641
N-[(4-acetamidophenyl)methylideneamino]-2-(diethylamino)acetamide
CID 4221409

Frequently Asked Questions

What is the IUPAC name of N-(4-acetamidophenyl)-N'-[(E)-[4-(dimethylamino)phenyl]methylideneamino]butanediamide?
The IUPAC name of N-(4-acetamidophenyl)-N'-[(E)-[4-(dimethylamino)phenyl]methylideneamino]butanediamide (CID 171981399) is N-(4-acetamidophenyl)-N'-[(E)-[4-(dimethylamino)phenyl]methylideneamino]butanediamide.
What is the SMILES notation for N-(4-acetamidophenyl)-N'-[(E)-[4-(dimethylamino)phenyl]methylideneamino]butanediamide?
The canonical SMILES for N-(4-acetamidophenyl)-N'-[(E)-[4-(dimethylamino)phenyl]methylideneamino]butanediamide is CC(=O)Nc1ccc(NC(=O)CCC(=O)N/N=C/c2ccc(N(C)C)cc2)cc1.
What is the InChIKey of N-(4-acetamidophenyl)-N'-[(E)-[4-(dimethylamino)phenyl]methylideneamino]butanediamide?
The InChIKey is VCXHRNTXKVMPOW-HYARGMPZSA-N. The full InChI is InChI=1S/C21H25N5O3/c1-15(27)23-17-6-8-18(9-7-17)24-20(28)12-13-21(29)25-22-14-16-4-10-19(11-5-16)26(2)3/h4-11,14H,12-13H2,1-3H3,(H,23,27)(H,24,28)(H,25,29)/b22-14+.
What are the key properties of N-(4-acetamidophenyl)-N'-[(E)-[4-(dimethylamino)phenyl]methylideneamino]butanediamide?
N-(4-acetamidophenyl)-N'-[(E)-[4-(dimethylamino)phenyl]methylideneamino]butanediamide has a molecular weight of 395.46 g/mol, XLogP of 2.58, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-acetamidophenyl)-N'-[(E)-[4-(dimethylamino)phenyl]methylideneamino]butanediamide is sourced from PubChem (CID 171981399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).