4-(acetamidomethyl)-N-[2-(2-methylprop-2-enoxy)ethyl]benzamide

C16H22N2O3 — CID 115699892

IUPAC4-(acetamidomethyl)-N-[2-(2-methylprop-2-enoxy)ethyl]benzamide
SMILESC=C(C)COCCNC(=O)c1ccc(CNC(C)=O)cc1
InChIInChI=1S/C16H22N2O3/c1-12(2)11-21-9-8-17-16(20)15-6-4-14(5-7-15)10-18-13(3)19/h4-7H,1,8-11H2,2-3H3,(H,17,20)(H,18,19)
InChIKeyIOYUEPUFULNDBX-UHFFFAOYSA-N
MW290.36 g/mol
LogP1.65
Rot. Bonds8

About 4-(acetamidomethyl)-N-[2-(2-methylprop-2-enoxy)ethyl]benzamide

4-(acetamidomethyl)-N-[2-(2-methylprop-2-enoxy)ethyl]benzamide (PubChem CID 115699892) has the molecular formula C16H22N2O3 and a molecular weight of 290.36 g/mol. Its IUPAC name is 4-(acetamidomethyl)-N-[2-(2-methylprop-2-enoxy)ethyl]benzamide.

Molecular Properties

Compound Name4-(acetamidomethyl)-N-[2-(2-methylprop-2-enoxy)ethyl]benzamide
PubChem CID115699892
Molecular FormulaC16H22N2O3
Molecular Weight290.36 g/mol
Exact Mass290.16
IUPAC Name4-(acetamidomethyl)-N-[2-(2-methylprop-2-enoxy)ethyl]benzamide
SMILESC=C(C)COCCNC(=O)c1ccc(CNC(C)=O)cc1
InChIInChI=1S/C16H22N2O3/c1-12(2)11-21-9-8-17-16(20)15-6-4-14(5-7-15)10-18-13(3)19/h4-7H,1,8-11H2,2-3H3,(H,17,20)(H,18,19)
InChIKeyIOYUEPUFULNDBX-UHFFFAOYSA-N
XLogP1.65
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 ≤ 51.65
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-methyl-N-[2-[2-(2-methylprop-2-enoxy)ethylamino]-2-oxoethyl]benzamide
CID 115699973
4-(ethylaminomethyl)-N-[2-[2-(2-oxopropoxy)ethoxy]ethyl]benzamide
CID 166949496
4-bromo-N-[2-[2-(2-methylprop-2-enoxy)ethylamino]-2-oxoethyl]benzamide
CID 115699642
4-(acetamidomethyl)-N-ethylbenzamide
CID 20648409
4-[[2-(2-methylprop-2-enoxy)ethylamino]methyl]benzamide
CID 113258300
N-[2-(2-methylprop-2-enoxy)ethyl]pyridazine-4-carboxamide
CID 115769401
4-(acetamidomethyl)-N-[[4-(diethylcarbamoyl)phenyl]methyl]benzamide
CID 39020952
3-methoxy-N-[2-(2-methylprop-2-enoxy)ethyl]benzamide
CID 115699494
2-[2-[[4-[(dimethylamino)methyl]benzoyl]amino]ethoxy]acetic acid
CID 79469254
3-[2-[[4-(acetamidomethyl)benzoyl]amino]ethyldisulfanyl]propanoic acid
CID 167984660
3-fluoro-N-[2-(2-methylprop-2-enoxy)ethyl]-4-nitrobenzamide
CID 115700380
3,5-dichloro-4-methoxy-N-[2-(2-methylprop-2-enoxy)ethyl]benzamide
CID 115699714

Frequently Asked Questions

What is the IUPAC name of 4-(acetamidomethyl)-N-[2-(2-methylprop-2-enoxy)ethyl]benzamide?
The IUPAC name of 4-(acetamidomethyl)-N-[2-(2-methylprop-2-enoxy)ethyl]benzamide (CID 115699892) is 4-(acetamidomethyl)-N-[2-(2-methylprop-2-enoxy)ethyl]benzamide.
What is the SMILES notation for 4-(acetamidomethyl)-N-[2-(2-methylprop-2-enoxy)ethyl]benzamide?
The canonical SMILES for 4-(acetamidomethyl)-N-[2-(2-methylprop-2-enoxy)ethyl]benzamide is C=C(C)COCCNC(=O)c1ccc(CNC(C)=O)cc1.
What is the InChIKey of 4-(acetamidomethyl)-N-[2-(2-methylprop-2-enoxy)ethyl]benzamide?
The InChIKey is IOYUEPUFULNDBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O3/c1-12(2)11-21-9-8-17-16(20)15-6-4-14(5-7-15)10-18-13(3)19/h4-7H,1,8-11H2,2-3H3,(H,17,20)(H,18,19).
What are the key properties of 4-(acetamidomethyl)-N-[2-(2-methylprop-2-enoxy)ethyl]benzamide?
4-(acetamidomethyl)-N-[2-(2-methylprop-2-enoxy)ethyl]benzamide has a molecular weight of 290.36 g/mol, XLogP of 1.65, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(acetamidomethyl)-N-[2-(2-methylprop-2-enoxy)ethyl]benzamide is sourced from PubChem (CID 115699892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).