(E)-3-(4-acetamidophenyl)-N-methyl-N-[(4-prop-2-enoxyphenyl)methyl]prop-2-enamide

C22H24N2O3 — CID 35687554

IUPAC(E)-3-(4-acetamidophenyl)-N-methyl-N-[(4-prop-2-enoxyphenyl)methyl]prop-2-enamide
SMILESC=CCOc1ccc(CN(C)C(=O)/C=C/c2ccc(NC(C)=O)cc2)cc1
InChIInChI=1S/C22H24N2O3/c1-4-15-27-21-12-7-19(8-13-21)16-24(3)22(26)14-9-18-5-10-20(11-6-18)23-17(2)25/h4-14H,1,15-16H2,2-3H3,(H,23,25)/b14-9+
InChIKeyFLFHTEPCHKJQAI-NTEUORMPSA-N
MW364.45 g/mol
LogP3.88
Rot. Bonds8

About (E)-3-(4-acetamidophenyl)-N-methyl-N-[(4-prop-2-enoxyphenyl)methyl]prop-2-enamide

(E)-3-(4-acetamidophenyl)-N-methyl-N-[(4-prop-2-enoxyphenyl)methyl]prop-2-enamide (PubChem CID 35687554) has the molecular formula C22H24N2O3 and a molecular weight of 364.45 g/mol. Its IUPAC name is (E)-3-(4-acetamidophenyl)-N-methyl-N-[(4-prop-2-enoxyphenyl)methyl]prop-2-enamide.

Molecular Properties

Compound Name(E)-3-(4-acetamidophenyl)-N-methyl-N-[(4-prop-2-enoxyphenyl)methyl]prop-2-enamide
PubChem CID35687554
Molecular FormulaC22H24N2O3
Molecular Weight364.45 g/mol
Exact Mass364.18
IUPAC Name(E)-3-(4-acetamidophenyl)-N-methyl-N-[(4-prop-2-enoxyphenyl)methyl]prop-2-enamide
SMILESC=CCOc1ccc(CN(C)C(=O)/C=C/c2ccc(NC(C)=O)cc2)cc1
InChIInChI=1S/C22H24N2O3/c1-4-15-27-21-12-7-19(8-13-21)16-24(3)22(26)14-9-18-5-10-20(11-6-18)23-17(2)25/h4-14H,1,15-16H2,2-3H3,(H,23,25)/b14-9+
InChIKeyFLFHTEPCHKJQAI-NTEUORMPSA-N
XLogP3.88
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.45
LogP ≤ 53.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

(E)-N-(4-acetamidophenyl)-3-(4-prop-2-enoxyphenyl)prop-2-enamide
CID 7731956
3-(4-methylphenyl)-N-(4-prop-2-enoxyphenyl)prop-2-enamide
CID 4952517
3-(4-ethoxyphenyl)-1-methyl-1-[(4-prop-2-enoxyphenyl)methyl]thiourea
CID 8682661
(E)-N-benzyl-3-[4-(methoxymethoxy)phenyl]-N-methylprop-2-enamide
CID 110498603
[(2R)-1-(4-methylanilino)-1-oxopropan-2-yl] (E)-3-(4-prop-2-enoxyphenyl)prop-2-enoate
CID 7486084
4-[[[(E)-3-(3-methoxy-4-prop-2-enoxyphenyl)prop-2-enoyl]-methylamino]methyl]-N-methylbenzamide
CID 8966182
(E)-3-(4-acetamidophenyl)-N-[(2-bromophenyl)methyl]-N-methylprop-2-enamide
CID 38044413
2-(4-acetamidophenyl)-N-[(4-ethoxyphenyl)methyl]-N-methylacetamide
CID 27823052
(2S)-N-(4-acetylphenyl)-2-[methyl-[(4-prop-2-enoxyphenyl)methyl]amino]propanamide
CID 2504362
3-(4-acetamidophenyl)-N-ethyl-N-[1-(4-methoxyphenyl)propan-2-yl]prop-2-enamide
CID 72689503
N-cyclopropyl-4-[(E)-3-[(4-ethoxyphenyl)methyl-methylamino]-3-oxoprop-1-enyl]benzamide
CID 134048504
N-[4-[methyl-(4-prop-2-enoxyphenyl)sulfamoyl]phenyl]acetamide
CID 100501598

Frequently Asked Questions

What is the IUPAC name of (E)-3-(4-acetamidophenyl)-N-methyl-N-[(4-prop-2-enoxyphenyl)methyl]prop-2-enamide?
The IUPAC name of (E)-3-(4-acetamidophenyl)-N-methyl-N-[(4-prop-2-enoxyphenyl)methyl]prop-2-enamide (CID 35687554) is (E)-3-(4-acetamidophenyl)-N-methyl-N-[(4-prop-2-enoxyphenyl)methyl]prop-2-enamide.
What is the SMILES notation for (E)-3-(4-acetamidophenyl)-N-methyl-N-[(4-prop-2-enoxyphenyl)methyl]prop-2-enamide?
The canonical SMILES for (E)-3-(4-acetamidophenyl)-N-methyl-N-[(4-prop-2-enoxyphenyl)methyl]prop-2-enamide is C=CCOc1ccc(CN(C)C(=O)/C=C/c2ccc(NC(C)=O)cc2)cc1.
What is the InChIKey of (E)-3-(4-acetamidophenyl)-N-methyl-N-[(4-prop-2-enoxyphenyl)methyl]prop-2-enamide?
The InChIKey is FLFHTEPCHKJQAI-NTEUORMPSA-N. The full InChI is InChI=1S/C22H24N2O3/c1-4-15-27-21-12-7-19(8-13-21)16-24(3)22(26)14-9-18-5-10-20(11-6-18)23-17(2)25/h4-14H,1,15-16H2,2-3H3,(H,23,25)/b14-9+.
What are the key properties of (E)-3-(4-acetamidophenyl)-N-methyl-N-[(4-prop-2-enoxyphenyl)methyl]prop-2-enamide?
(E)-3-(4-acetamidophenyl)-N-methyl-N-[(4-prop-2-enoxyphenyl)methyl]prop-2-enamide has a molecular weight of 364.45 g/mol, XLogP of 3.88, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(4-acetamidophenyl)-N-methyl-N-[(4-prop-2-enoxyphenyl)methyl]prop-2-enamide is sourced from PubChem (CID 35687554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).