(E)-N-[2-(cyclopropylamino)-2-oxoethyl]-4-methyl-3-(4-methylphenyl)pent-2-enamide

C18H24N2O2 — CID 110423505

IUPAC(E)-N-[2-(cyclopropylamino)-2-oxoethyl]-4-methyl-3-(4-methylphenyl)pent-2-enamide
SMILESCc1ccc(/C(=C/C(=O)NCC(=O)NC2CC2)C(C)C)cc1
InChIInChI=1S/C18H24N2O2/c1-12(2)16(14-6-4-13(3)5-7-14)10-17(21)19-11-18(22)20-15-8-9-15/h4-7,10,12,15H,8-9,11H2,1-3H3,(H,19,21)(H,20,22)/b16-10+
InChIKeyCSTAGIIFLIWRPM-MHWRWJLKSA-N
MW300.40 g/mol
LogP2.43
Rot. Bonds6

About (E)-N-[2-(cyclopropylamino)-2-oxoethyl]-4-methyl-3-(4-methylphenyl)pent-2-enamide

(E)-N-[2-(cyclopropylamino)-2-oxoethyl]-4-methyl-3-(4-methylphenyl)pent-2-enamide (PubChem CID 110423505) has the molecular formula C18H24N2O2 and a molecular weight of 300.40 g/mol. Its IUPAC name is (E)-N-[2-(cyclopropylamino)-2-oxoethyl]-4-methyl-3-(4-methylphenyl)pent-2-enamide.

Molecular Properties

Compound Name(E)-N-[2-(cyclopropylamino)-2-oxoethyl]-4-methyl-3-(4-methylphenyl)pent-2-enamide
PubChem CID110423505
Molecular FormulaC18H24N2O2
Molecular Weight300.40 g/mol
Exact Mass300.18
IUPAC Name(E)-N-[2-(cyclopropylamino)-2-oxoethyl]-4-methyl-3-(4-methylphenyl)pent-2-enamide
SMILESCc1ccc(/C(=C/C(=O)NCC(=O)NC2CC2)C(C)C)cc1
InChIInChI=1S/C18H24N2O2/c1-12(2)16(14-6-4-13(3)5-7-14)10-17(21)19-11-18(22)20-15-8-9-15/h4-7,10,12,15H,8-9,11H2,1-3H3,(H,19,21)(H,20,22)/b16-10+
InChIKeyCSTAGIIFLIWRPM-MHWRWJLKSA-N
XLogP2.43
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.40
LogP ≤ 52.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (E)-N-[2-(cyclopropylamino)-2-oxoethyl]-4-methyl-3-(4-methylphenyl)pent-2-enamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (E)-N-[2-(cyclopropylamino)-2-oxoethyl]-4-methyl-3-(4-methylphenyl)pent-2-enamide?
The IUPAC name of (E)-N-[2-(cyclopropylamino)-2-oxoethyl]-4-methyl-3-(4-methylphenyl)pent-2-enamide (CID 110423505) is (E)-N-[2-(cyclopropylamino)-2-oxoethyl]-4-methyl-3-(4-methylphenyl)pent-2-enamide.
What is the SMILES notation for (E)-N-[2-(cyclopropylamino)-2-oxoethyl]-4-methyl-3-(4-methylphenyl)pent-2-enamide?
The canonical SMILES for (E)-N-[2-(cyclopropylamino)-2-oxoethyl]-4-methyl-3-(4-methylphenyl)pent-2-enamide is Cc1ccc(/C(=C/C(=O)NCC(=O)NC2CC2)C(C)C)cc1.
What is the InChIKey of (E)-N-[2-(cyclopropylamino)-2-oxoethyl]-4-methyl-3-(4-methylphenyl)pent-2-enamide?
The InChIKey is CSTAGIIFLIWRPM-MHWRWJLKSA-N. The full InChI is InChI=1S/C18H24N2O2/c1-12(2)16(14-6-4-13(3)5-7-14)10-17(21)19-11-18(22)20-15-8-9-15/h4-7,10,12,15H,8-9,11H2,1-3H3,(H,19,21)(H,20,22)/b16-10+.
What are the key properties of (E)-N-[2-(cyclopropylamino)-2-oxoethyl]-4-methyl-3-(4-methylphenyl)pent-2-enamide?
(E)-N-[2-(cyclopropylamino)-2-oxoethyl]-4-methyl-3-(4-methylphenyl)pent-2-enamide has a molecular weight of 300.40 g/mol, XLogP of 2.43, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-[2-(cyclopropylamino)-2-oxoethyl]-4-methyl-3-(4-methylphenyl)pent-2-enamide is sourced from PubChem (CID 110423505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).