N-(3-acetamidophenyl)-2-(4-prop-2-enoxyanilino)acetamide

C19H21N3O3 — CID 54821414

IUPACN-(3-acetamidophenyl)-2-(4-prop-2-enoxyanilino)acetamide
SMILESC=CCOc1ccc(NCC(=O)Nc2cccc(NC(C)=O)c2)cc1
InChIInChI=1S/C19H21N3O3/c1-3-11-25-18-9-7-15(8-10-18)20-13-19(24)22-17-6-4-5-16(12-17)21-14(2)23/h3-10,12,20H,1,11,13H2,2H3,(H,21,23)(H,22,24)
InChIKeyDCVOIYYAFYDOFG-UHFFFAOYSA-N
MW339.40 g/mol
LogP3.26
Rot. Bonds8

About N-(3-acetamidophenyl)-2-(4-prop-2-enoxyanilino)acetamide

N-(3-acetamidophenyl)-2-(4-prop-2-enoxyanilino)acetamide (PubChem CID 54821414) has the molecular formula C19H21N3O3 and a molecular weight of 339.40 g/mol. Its IUPAC name is N-(3-acetamidophenyl)-2-(4-prop-2-enoxyanilino)acetamide.

Molecular Properties

Compound NameN-(3-acetamidophenyl)-2-(4-prop-2-enoxyanilino)acetamide
PubChem CID54821414
Molecular FormulaC19H21N3O3
Molecular Weight339.40 g/mol
Exact Mass339.16
IUPAC NameN-(3-acetamidophenyl)-2-(4-prop-2-enoxyanilino)acetamide
SMILESC=CCOc1ccc(NCC(=O)Nc2cccc(NC(C)=O)c2)cc1
InChIInChI=1S/C19H21N3O3/c1-3-11-25-18-9-7-15(8-10-18)20-13-19(24)22-17-6-4-5-16(12-17)21-14(2)23/h3-10,12,20H,1,11,13H2,2H3,(H,21,23)(H,22,24)
InChIKeyDCVOIYYAFYDOFG-UHFFFAOYSA-N
XLogP3.26
TPSA79.46 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.40
LogP ≤ 53.26
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-(3-acetamidoanilino)-N-(4-prop-2-enoxyphenyl)acetamide
CID 54831803
N-(3-bromophenyl)-2-(4-prop-2-enoxyanilino)acetamide
CID 54821614
N-(3,4-dimethylphenyl)-2-(4-prop-2-enoxyanilino)acetamide
CID 54821243
2-(4-prop-2-enoxyanilino)-N-(3-propoxyphenyl)acetamide
CID 54821314
2-[4-(2-phenoxyethoxy)anilino]-N-(3-prop-2-enoxyphenyl)acetamide
CID 54822985
N-(3-acetamidophenyl)-2-(4-propoxyanilino)acetamide
CID 54822822
N-(3,5-dimethylphenyl)-2-(4-prop-2-enoxyanilino)acetamide
CID 54821441
N-(3-acetamidophenyl)-2-(4-methoxyanilino)acetamide
CID 39453688
N-[3-[[2-(3-prop-2-enoxyanilino)acetyl]amino]phenyl]propanamide
CID 54826616
N-(3-acetamidophenyl)-2-(4-phenoxyanilino)acetamide
CID 54812613
N-(3-acetamidophenyl)-2-[4-(2-ethoxyethoxy)anilino]acetamide
CID 54825386
N,N-dimethyl-3-[3-[[2-(4-prop-2-enoxyanilino)acetyl]amino]phenyl]propanamide
CID 54821485

Frequently Asked Questions

What is the IUPAC name of N-(3-acetamidophenyl)-2-(4-prop-2-enoxyanilino)acetamide?
The IUPAC name of N-(3-acetamidophenyl)-2-(4-prop-2-enoxyanilino)acetamide (CID 54821414) is N-(3-acetamidophenyl)-2-(4-prop-2-enoxyanilino)acetamide.
What is the SMILES notation for N-(3-acetamidophenyl)-2-(4-prop-2-enoxyanilino)acetamide?
The canonical SMILES for N-(3-acetamidophenyl)-2-(4-prop-2-enoxyanilino)acetamide is C=CCOc1ccc(NCC(=O)Nc2cccc(NC(C)=O)c2)cc1.
What is the InChIKey of N-(3-acetamidophenyl)-2-(4-prop-2-enoxyanilino)acetamide?
The InChIKey is DCVOIYYAFYDOFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3O3/c1-3-11-25-18-9-7-15(8-10-18)20-13-19(24)22-17-6-4-5-16(12-17)21-14(2)23/h3-10,12,20H,1,11,13H2,2H3,(H,21,23)(H,22,24).
What are the key properties of N-(3-acetamidophenyl)-2-(4-prop-2-enoxyanilino)acetamide?
N-(3-acetamidophenyl)-2-(4-prop-2-enoxyanilino)acetamide has a molecular weight of 339.40 g/mol, XLogP of 3.26, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-acetamidophenyl)-2-(4-prop-2-enoxyanilino)acetamide is sourced from PubChem (CID 54821414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).