N-methyl-2-(4-prop-2-enoxyanilino)acetamide

C12H16N2O2 — CID 54821477

IUPACN-methyl-2-(4-prop-2-enoxyanilino)acetamide
SMILESC=CCOc1ccc(NCC(=O)NC)cc1
InChIInChI=1S/C12H16N2O2/c1-3-8-16-11-6-4-10(5-7-11)14-9-12(15)13-2/h3-7,14H,1,8-9H2,2H3,(H,13,15)
InChIKeyIZYZZMQPHFNODH-UHFFFAOYSA-N
MW220.27 g/mol
LogP1.41
Rot. Bonds6

About N-methyl-2-(4-prop-2-enoxyanilino)acetamide

N-methyl-2-(4-prop-2-enoxyanilino)acetamide (PubChem CID 54821477) has the molecular formula C12H16N2O2 and a molecular weight of 220.27 g/mol. Its IUPAC name is N-methyl-2-(4-prop-2-enoxyanilino)acetamide.

Molecular Properties

Compound NameN-methyl-2-(4-prop-2-enoxyanilino)acetamide
PubChem CID54821477
Molecular FormulaC12H16N2O2
Molecular Weight220.27 g/mol
Exact Mass220.12
IUPAC NameN-methyl-2-(4-prop-2-enoxyanilino)acetamide
SMILESC=CCOc1ccc(NCC(=O)NC)cc1
InChIInChI=1S/C12H16N2O2/c1-3-8-16-11-6-4-10(5-7-11)14-9-12(15)13-2/h3-7,14H,1,8-9H2,2H3,(H,13,15)
InChIKeyIZYZZMQPHFNODH-UHFFFAOYSA-N
XLogP1.41
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.27
LogP ≤ 51.41
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'}

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Related Compounds

N-(3,4-dimethylphenyl)-2-(4-prop-2-enoxyanilino)acetamide
CID 54821243
N-(3,5-dimethylphenyl)-2-(4-prop-2-enoxyanilino)acetamide
CID 54821441
N-(3-acetamidophenyl)-2-(4-prop-2-enoxyanilino)acetamide
CID 54821414
2-[4-(2-ethoxyethoxy)anilino]-N-methylacetamide
CID 54825412
2-(3-acetamidoanilino)-N-(4-prop-2-enoxyphenyl)acetamide
CID 54831803
N-(3-bromophenyl)-2-(4-prop-2-enoxyanilino)acetamide
CID 54821614
2-(4-prop-2-enoxyanilino)-N-(3-propoxyphenyl)acetamide
CID 54821314
N-(2-butoxyphenyl)-2-(4-prop-2-enoxyanilino)acetamide
CID 54821544
N-(2-propan-2-yloxyphenyl)-2-(4-prop-2-enoxyanilino)acetamide
CID 54821181
N-(furan-2-ylmethyl)-2-(4-prop-2-enoxyanilino)acetamide
CID 54821313
N-(2,4-dichlorophenyl)-2-(4-prop-2-enoxyanilino)acetamide
CID 54821175
2-[4-(2-phenoxyethoxy)anilino]-N-(3-prop-2-enoxyphenyl)acetamide
CID 54822985

Frequently Asked Questions

What is the IUPAC name of N-methyl-2-(4-prop-2-enoxyanilino)acetamide?
The IUPAC name of N-methyl-2-(4-prop-2-enoxyanilino)acetamide (CID 54821477) is N-methyl-2-(4-prop-2-enoxyanilino)acetamide.
What is the SMILES notation for N-methyl-2-(4-prop-2-enoxyanilino)acetamide?
The canonical SMILES for N-methyl-2-(4-prop-2-enoxyanilino)acetamide is C=CCOc1ccc(NCC(=O)NC)cc1.
What is the InChIKey of N-methyl-2-(4-prop-2-enoxyanilino)acetamide?
The InChIKey is IZYZZMQPHFNODH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O2/c1-3-8-16-11-6-4-10(5-7-11)14-9-12(15)13-2/h3-7,14H,1,8-9H2,2H3,(H,13,15).
What are the key properties of N-methyl-2-(4-prop-2-enoxyanilino)acetamide?
N-methyl-2-(4-prop-2-enoxyanilino)acetamide has a molecular weight of 220.27 g/mol, XLogP of 1.41, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-(4-prop-2-enoxyanilino)acetamide is sourced from PubChem (CID 54821477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).