N-(3,5-dimethylphenyl)-2-(4-prop-2-enoxyanilino)acetamide

C19H22N2O2 — CID 54821441

IUPACN-(3,5-dimethylphenyl)-2-(4-prop-2-enoxyanilino)acetamide
SMILESC=CCOc1ccc(NCC(=O)Nc2cc(C)cc(C)c2)cc1
InChIInChI=1S/C19H22N2O2/c1-4-9-23-18-7-5-16(6-8-18)20-13-19(22)21-17-11-14(2)10-15(3)12-17/h4-8,10-12,20H,1,9,13H2,2-3H3,(H,21,22)
InChIKeyUAQXDTJCSAVPKD-UHFFFAOYSA-N
MW310.40 g/mol
LogP3.92
Rot. Bonds7

About N-(3,5-dimethylphenyl)-2-(4-prop-2-enoxyanilino)acetamide

N-(3,5-dimethylphenyl)-2-(4-prop-2-enoxyanilino)acetamide (PubChem CID 54821441) has the molecular formula C19H22N2O2 and a molecular weight of 310.40 g/mol. Its IUPAC name is N-(3,5-dimethylphenyl)-2-(4-prop-2-enoxyanilino)acetamide.

Molecular Properties

Compound NameN-(3,5-dimethylphenyl)-2-(4-prop-2-enoxyanilino)acetamide
PubChem CID54821441
Molecular FormulaC19H22N2O2
Molecular Weight310.40 g/mol
Exact Mass310.17
IUPAC NameN-(3,5-dimethylphenyl)-2-(4-prop-2-enoxyanilino)acetamide
SMILESC=CCOc1ccc(NCC(=O)Nc2cc(C)cc(C)c2)cc1
InChIInChI=1S/C19H22N2O2/c1-4-9-23-18-7-5-16(6-8-18)20-13-19(22)21-17-11-14(2)10-15(3)12-17/h4-8,10-12,20H,1,9,13H2,2-3H3,(H,21,22)
InChIKeyUAQXDTJCSAVPKD-UHFFFAOYSA-N
XLogP3.92
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.40
LogP ≤ 53.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze N-(3,5-dimethylphenyl)-2-(4-prop-2-enoxyanilino)acetamide 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-(3,4-dimethylphenyl)-2-(4-prop-2-enoxyanilino)acetamide
CID 54821243
N-(3-acetamidophenyl)-2-(4-prop-2-enoxyanilino)acetamide
CID 54821414
N-(3-bromophenyl)-2-(4-prop-2-enoxyanilino)acetamide
CID 54821614
N-methyl-2-(4-prop-2-enoxyanilino)acetamide
CID 54821477
2-(3-acetamidoanilino)-N-(4-prop-2-enoxyphenyl)acetamide
CID 54831803
N-(3,5-dimethylphenyl)-2-(4-propan-2-yloxyanilino)acetamide
CID 54822316
N-(2,4-dichlorophenyl)-2-(4-prop-2-enoxyanilino)acetamide
CID 54821175
2-(4-prop-2-enoxyanilino)-N-(3-propoxyphenyl)acetamide
CID 54821314
N-(4-prop-2-enoxyphenyl)-2-(2,4,5-trichloroanilino)acetamide
CID 54816702
2-[4-(2-phenoxyethoxy)anilino]-N-(3-prop-2-enoxyphenyl)acetamide
CID 54822985
2-bromo-N-(4-prop-2-enoxyphenyl)acetamide
CID 23624716
N-(4-bromophenyl)-2-(3-prop-2-enoxyanilino)acetamide
CID 54826542

Frequently Asked Questions

What is the IUPAC name of N-(3,5-dimethylphenyl)-2-(4-prop-2-enoxyanilino)acetamide?
The IUPAC name of N-(3,5-dimethylphenyl)-2-(4-prop-2-enoxyanilino)acetamide (CID 54821441) is N-(3,5-dimethylphenyl)-2-(4-prop-2-enoxyanilino)acetamide.
What is the SMILES notation for N-(3,5-dimethylphenyl)-2-(4-prop-2-enoxyanilino)acetamide?
The canonical SMILES for N-(3,5-dimethylphenyl)-2-(4-prop-2-enoxyanilino)acetamide is C=CCOc1ccc(NCC(=O)Nc2cc(C)cc(C)c2)cc1.
What is the InChIKey of N-(3,5-dimethylphenyl)-2-(4-prop-2-enoxyanilino)acetamide?
The InChIKey is UAQXDTJCSAVPKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O2/c1-4-9-23-18-7-5-16(6-8-18)20-13-19(22)21-17-11-14(2)10-15(3)12-17/h4-8,10-12,20H,1,9,13H2,2-3H3,(H,21,22).
What are the key properties of N-(3,5-dimethylphenyl)-2-(4-prop-2-enoxyanilino)acetamide?
N-(3,5-dimethylphenyl)-2-(4-prop-2-enoxyanilino)acetamide has a molecular weight of 310.40 g/mol, XLogP of 3.92, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,5-dimethylphenyl)-2-(4-prop-2-enoxyanilino)acetamide is sourced from PubChem (CID 54821441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).