4-methyl-N-[2-[2-(2-methylprop-2-enoxy)ethylamino]-2-oxoethyl]benzamide

C16H22N2O3 — CID 115699973

IUPAC4-methyl-N-[2-[2-(2-methylprop-2-enoxy)ethylamino]-2-oxoethyl]benzamide
SMILESC=C(C)COCCNC(=O)CNC(=O)c1ccc(C)cc1
InChIInChI=1S/C16H22N2O3/c1-12(2)11-21-9-8-17-15(19)10-18-16(20)14-6-4-13(3)5-7-14/h4-7H,1,8-11H2,2-3H3,(H,17,19)(H,18,20)
InChIKeyXMYLUWFVIRHPHR-UHFFFAOYSA-N
MW290.36 g/mol
LogP1.43
Rot. Bonds8

About 4-methyl-N-[2-[2-(2-methylprop-2-enoxy)ethylamino]-2-oxoethyl]benzamide

4-methyl-N-[2-[2-(2-methylprop-2-enoxy)ethylamino]-2-oxoethyl]benzamide (PubChem CID 115699973) has the molecular formula C16H22N2O3 and a molecular weight of 290.36 g/mol. Its IUPAC name is 4-methyl-N-[2-[2-(2-methylprop-2-enoxy)ethylamino]-2-oxoethyl]benzamide.

Molecular Properties

Compound Name4-methyl-N-[2-[2-(2-methylprop-2-enoxy)ethylamino]-2-oxoethyl]benzamide
PubChem CID115699973
Molecular FormulaC16H22N2O3
Molecular Weight290.36 g/mol
Exact Mass290.16
IUPAC Name4-methyl-N-[2-[2-(2-methylprop-2-enoxy)ethylamino]-2-oxoethyl]benzamide
SMILESC=C(C)COCCNC(=O)CNC(=O)c1ccc(C)cc1
InChIInChI=1S/C16H22N2O3/c1-12(2)11-21-9-8-17-15(19)10-18-16(20)14-6-4-13(3)5-7-14/h4-7H,1,8-11H2,2-3H3,(H,17,19)(H,18,20)
InChIKeyXMYLUWFVIRHPHR-UHFFFAOYSA-N
XLogP1.43
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.36
LogP ≤ 51.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-bromo-N-[2-[2-(2-methylprop-2-enoxy)ethylamino]-2-oxoethyl]benzamide
CID 115699642
5-methyl-N-[2-[2-(2-methylprop-2-enoxy)ethylamino]-2-oxoethyl]thiophene-2-carboxamide
CID 115699814
4-(acetamidomethyl)-N-[2-(2-methylprop-2-enoxy)ethyl]benzamide
CID 115699892
2-(2,5-dimethylphenyl)-N-[2-(2-methylprop-2-enoxy)ethyl]acetamide
CID 115699527
N-[2-(2-hydroxyethylamino)-2-oxoethyl]-4-methylbenzamide
CID 43389073
2-fluoro-N-[2-[2-(2-methylprop-2-enoxy)ethylamino]-2-oxoethyl]benzamide
CID 115699827
4-ethoxy-N-[2-[2-(4-methylphenoxy)ethylamino]-2-oxoethyl]benzamide
CID 9366137
N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-4-methylbenzamide;ethane
CID 143583879
N-(2-hydrazinyl-2-oxoethyl)-4-methylbenzamide
CID 17349905
N-[2-(4-hydroxypentylamino)-2-oxoethyl]-4-methylbenzamide
CID 107300460
N-[2-[2-[[2-(4-methylphenoxy)acetyl]amino]ethylamino]-2-oxoethyl]benzamide
CID 108539308
2-(2-methoxy-4-methylphenoxy)-N-[2-(2-methylprop-2-enoxy)ethyl]acetamide
CID 115699567

Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-[2-[2-(2-methylprop-2-enoxy)ethylamino]-2-oxoethyl]benzamide?
The IUPAC name of 4-methyl-N-[2-[2-(2-methylprop-2-enoxy)ethylamino]-2-oxoethyl]benzamide (CID 115699973) is 4-methyl-N-[2-[2-(2-methylprop-2-enoxy)ethylamino]-2-oxoethyl]benzamide.
What is the SMILES notation for 4-methyl-N-[2-[2-(2-methylprop-2-enoxy)ethylamino]-2-oxoethyl]benzamide?
The canonical SMILES for 4-methyl-N-[2-[2-(2-methylprop-2-enoxy)ethylamino]-2-oxoethyl]benzamide is C=C(C)COCCNC(=O)CNC(=O)c1ccc(C)cc1.
What is the InChIKey of 4-methyl-N-[2-[2-(2-methylprop-2-enoxy)ethylamino]-2-oxoethyl]benzamide?
The InChIKey is XMYLUWFVIRHPHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O3/c1-12(2)11-21-9-8-17-15(19)10-18-16(20)14-6-4-13(3)5-7-14/h4-7H,1,8-11H2,2-3H3,(H,17,19)(H,18,20).
What are the key properties of 4-methyl-N-[2-[2-(2-methylprop-2-enoxy)ethylamino]-2-oxoethyl]benzamide?
4-methyl-N-[2-[2-(2-methylprop-2-enoxy)ethylamino]-2-oxoethyl]benzamide has a molecular weight of 290.36 g/mol, XLogP of 1.43, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-[2-[2-(2-methylprop-2-enoxy)ethylamino]-2-oxoethyl]benzamide is sourced from PubChem (CID 115699973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).