N-[2-(N-ethyl-2-methylanilino)ethyl]-4,4-dimethylpent-2-enamide

C18H28N2O — CID 72689859

IUPACN-[2-(N-ethyl-2-methylanilino)ethyl]-4,4-dimethylpent-2-enamide
SMILESCCN(CCNC(=O)C=CC(C)(C)C)c1ccccc1C
InChIInChI=1S/C18H28N2O/c1-6-20(16-10-8-7-9-15(16)2)14-13-19-17(21)11-12-18(3,4)5/h7-12H,6,13-14H2,1-5H3,(H,19,21)
InChIKeyFRSPJJRVZLMPCS-UHFFFAOYSA-N
MW288.44 g/mol
LogP3.54
Rot. Bonds6

About N-[2-(N-ethyl-2-methylanilino)ethyl]-4,4-dimethylpent-2-enamide

N-[2-(N-ethyl-2-methylanilino)ethyl]-4,4-dimethylpent-2-enamide (PubChem CID 72689859) has the molecular formula C18H28N2O and a molecular weight of 288.44 g/mol. Its IUPAC name is N-[2-(N-ethyl-2-methylanilino)ethyl]-4,4-dimethylpent-2-enamide.

Molecular Properties

Compound NameN-[2-(N-ethyl-2-methylanilino)ethyl]-4,4-dimethylpent-2-enamide
PubChem CID72689859
Molecular FormulaC18H28N2O
Molecular Weight288.44 g/mol
Exact Mass288.22
IUPAC NameN-[2-(N-ethyl-2-methylanilino)ethyl]-4,4-dimethylpent-2-enamide
SMILESCCN(CCNC(=O)C=CC(C)(C)C)c1ccccc1C
InChIInChI=1S/C18H28N2O/c1-6-20(16-10-8-7-9-15(16)2)14-13-19-17(21)11-12-18(3,4)5/h7-12H,6,13-14H2,1-5H3,(H,19,21)
InChIKeyFRSPJJRVZLMPCS-UHFFFAOYSA-N
XLogP3.54
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.44
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(N-ethyl-2-methylanilino)ethyl]-2-(methylamino)acetamide;hydrochloride
CID 120703807
3-amino-N-[2-(N-ethyl-2-methylanilino)ethyl]-2-methylbutanamide;dihydrochloride
CID 120503065
N-[2-(N-ethyl-2-methylanilino)ethyl]-2-methyl-3-(methylamino)propanamide;dihydrochloride
CID 119853428
N'-ethyl-N-(2-methylbutan-2-yl)-N'-(2-methylphenyl)ethane-1,2-diamine
CID 62573232
N-tert-butyl-2-[[N-[2-(N-ethyl-2-methylanilino)ethyl]-N'-methylcarbamimidoyl]amino]acetamide;hydroiodide
CID 111384594
4-cyano-N-[2-(N-ethyl-2-methylanilino)ethyl]benzamide
CID 52608359
1-amino-N-[2-(N-ethyl-2-methylanilino)ethyl]cyclohexane-1-carboxamide;dihydrochloride
CID 119853440
N'-ethyl-N'-(2-methylphenyl)-N-propylethane-1,2-diamine
CID 61386867
4-(N-ethyl-2-methylanilino)butan-2-one
CID 28948801
N-[2-(N-ethyl-2-methylanilino)ethyl]-2,4,5-trimethoxybenzamide
CID 46478751
N'-ethyl-N'-(2-methylphenyl)-N-phenylpropane-1,3-diamine
CID 63503025
4-(diethylsulfamoyl)-N-[2-(N-ethyl-2-methylanilino)ethyl]benzamide
CID 55725426

Frequently Asked Questions

What is the IUPAC name of N-[2-(N-ethyl-2-methylanilino)ethyl]-4,4-dimethylpent-2-enamide?
The IUPAC name of N-[2-(N-ethyl-2-methylanilino)ethyl]-4,4-dimethylpent-2-enamide (CID 72689859) is N-[2-(N-ethyl-2-methylanilino)ethyl]-4,4-dimethylpent-2-enamide.
What is the SMILES notation for N-[2-(N-ethyl-2-methylanilino)ethyl]-4,4-dimethylpent-2-enamide?
The canonical SMILES for N-[2-(N-ethyl-2-methylanilino)ethyl]-4,4-dimethylpent-2-enamide is CCN(CCNC(=O)C=CC(C)(C)C)c1ccccc1C.
What is the InChIKey of N-[2-(N-ethyl-2-methylanilino)ethyl]-4,4-dimethylpent-2-enamide?
The InChIKey is FRSPJJRVZLMPCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2O/c1-6-20(16-10-8-7-9-15(16)2)14-13-19-17(21)11-12-18(3,4)5/h7-12H,6,13-14H2,1-5H3,(H,19,21).
What are the key properties of N-[2-(N-ethyl-2-methylanilino)ethyl]-4,4-dimethylpent-2-enamide?
N-[2-(N-ethyl-2-methylanilino)ethyl]-4,4-dimethylpent-2-enamide has a molecular weight of 288.44 g/mol, XLogP of 3.54, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(N-ethyl-2-methylanilino)ethyl]-4,4-dimethylpent-2-enamide is sourced from PubChem (CID 72689859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).