(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'}

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Related Compounds

(E)-3-(4-bromophenyl)-N-cyclopropyl-4-methylpent-2-enamide
CID 110406396
N-[2-(cyclopentylamino)-2-oxoethyl]-4-methylbenzamide
CID 1262280
(E)-N-[3-(dimethylamino)propyl]-4-methyl-3-(4-methylphenyl)pent-2-enamide
CID 110408197
N-[2-(cyclopentylamino)-2-oxoethyl]-2-(4-methylphenyl)acetamide
CID 112990904
N-[2-(cyclopropylamino)-2-oxoethyl]-3-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]propanamide
CID 8964239
N-[2-(cyclopropylamino)-2-oxoethyl]-4-methyl-3-(4-propan-2-ylphenyl)pentanamide
CID 110353882
N-[2-(cyclopropylamino)-2-oxoethyl]-2-hydroxy-5-methylbenzamide
CID 43420144
2-[(2-chloro-4-methylphenyl)methylamino]-N-cyclopropylacetamide
CID 106862345
N-[2-[[1-(cyclopropylamino)-1-oxopropan-2-yl]amino]ethyl]-4-methylbenzamide
CID 60966595
4-methyl-N-[2-oxo-2-[(6-oxopiperidin-3-yl)amino]ethyl]benzamide
CID 63373381
2-bromo-N-[2-(cyclopropylamino)-2-oxoethyl]propanamide
CID 107903396
N-[2-(cyclopropylamino)-2-oxoethyl]-2-(4-methylphenyl)-1,3-thiazole-4-carboxamide
CID 18163813

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).