(E)-N-[3-(dimethylamino)propyl]-4-methyl-3-(4-methylphenyl)pent-2-enamide

C18H28N2O — CID 110408197

IUPAC(E)-N-[3-(dimethylamino)propyl]-4-methyl-3-(4-methylphenyl)pent-2-enamide
SMILESCc1ccc(/C(=C/C(=O)NCCCN(C)C)C(C)C)cc1
InChIInChI=1S/C18H28N2O/c1-14(2)17(16-9-7-15(3)8-10-16)13-18(21)19-11-6-12-20(4)5/h7-10,13-14H,6,11-12H2,1-5H3,(H,19,21)/b17-13+
InChIKeyCEUDBVKAJLYFLD-GHRIWEEISA-N
MW288.44 g/mol
LogP3.10
Rot. Bonds7

About (E)-N-[3-(dimethylamino)propyl]-4-methyl-3-(4-methylphenyl)pent-2-enamide

(E)-N-[3-(dimethylamino)propyl]-4-methyl-3-(4-methylphenyl)pent-2-enamide (PubChem CID 110408197) has the molecular formula C18H28N2O and a molecular weight of 288.44 g/mol. Its IUPAC name is (E)-N-[3-(dimethylamino)propyl]-4-methyl-3-(4-methylphenyl)pent-2-enamide.

Molecular Properties

Compound Name(E)-N-[3-(dimethylamino)propyl]-4-methyl-3-(4-methylphenyl)pent-2-enamide
PubChem CID110408197
Molecular FormulaC18H28N2O
Molecular Weight288.44 g/mol
Exact Mass288.22
IUPAC Name(E)-N-[3-(dimethylamino)propyl]-4-methyl-3-(4-methylphenyl)pent-2-enamide
SMILESCc1ccc(/C(=C/C(=O)NCCCN(C)C)C(C)C)cc1
InChIInChI=1S/C18H28N2O/c1-14(2)17(16-9-7-15(3)8-10-16)13-18(21)19-11-6-12-20(4)5/h7-10,13-14H,6,11-12H2,1-5H3,(H,19,21)/b17-13+
InChIKeyCEUDBVKAJLYFLD-GHRIWEEISA-N
XLogP3.10
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.44
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(E)-3-(4-bromophenyl)-N-[3-(dimethylamino)propyl]-4-methylpent-2-enamide
CID 110408198
N-[3-(dimethylamino)propyl]-4-(4-methylphenyl)benzamide
CID 162362191
(E)-N-(4-acetamidobutyl)-3-(4-bromophenyl)-4-methylpent-2-enamide
CID 110609771
(E)-4-methyl-3-(4-methylphenyl)-N-[2-(1,3-thiazol-4-yl)ethyl]pent-2-enamide
CID 110422689
N-[3-(dimethylamino)propyl]-2-(4-methylphenyl)acetamide
CID 4080384
(E)-4-methyl-N-[2-(5-methyl-1,2-oxazol-3-yl)ethyl]-3-(4-methylphenyl)pent-2-enamide
CID 110632386
(E)-N-[2-(cyclopropylamino)-2-oxoethyl]-4-methyl-3-(4-methylphenyl)pent-2-enamide
CID 110423505
(E)-N-(3-acetamidopropyl)-3-(4-fluoro-3-methylphenyl)-4-methylpent-2-enamide
CID 110630690
1-[3-(dimethylamino)propyl]-3-(4-methylphenyl)urea
CID 47103513
N-[3-(dimethylamino)propyl]-3-(4-methylphenyl)propanamide
CID 110755343
N-[3-(dimethylamino)propyl]-2,4-dimethylbenzamide
CID 19656256
N-[3-(dimethylamino)propyl]-4-(2-methylpropyl)benzamide
CID 110761239

Frequently Asked Questions

What is the IUPAC name of (E)-N-[3-(dimethylamino)propyl]-4-methyl-3-(4-methylphenyl)pent-2-enamide?
The IUPAC name of (E)-N-[3-(dimethylamino)propyl]-4-methyl-3-(4-methylphenyl)pent-2-enamide (CID 110408197) is (E)-N-[3-(dimethylamino)propyl]-4-methyl-3-(4-methylphenyl)pent-2-enamide.
What is the SMILES notation for (E)-N-[3-(dimethylamino)propyl]-4-methyl-3-(4-methylphenyl)pent-2-enamide?
The canonical SMILES for (E)-N-[3-(dimethylamino)propyl]-4-methyl-3-(4-methylphenyl)pent-2-enamide is Cc1ccc(/C(=C/C(=O)NCCCN(C)C)C(C)C)cc1.
What is the InChIKey of (E)-N-[3-(dimethylamino)propyl]-4-methyl-3-(4-methylphenyl)pent-2-enamide?
The InChIKey is CEUDBVKAJLYFLD-GHRIWEEISA-N. The full InChI is InChI=1S/C18H28N2O/c1-14(2)17(16-9-7-15(3)8-10-16)13-18(21)19-11-6-12-20(4)5/h7-10,13-14H,6,11-12H2,1-5H3,(H,19,21)/b17-13+.
What are the key properties of (E)-N-[3-(dimethylamino)propyl]-4-methyl-3-(4-methylphenyl)pent-2-enamide?
(E)-N-[3-(dimethylamino)propyl]-4-methyl-3-(4-methylphenyl)pent-2-enamide has a molecular weight of 288.44 g/mol, XLogP of 3.10, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-[3-(dimethylamino)propyl]-4-methyl-3-(4-methylphenyl)pent-2-enamide is sourced from PubChem (CID 110408197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).