3-methoxy-N-[2-(2-methylprop-2-enoxy)ethyl]benzamide

C14H19NO3 — CID 115699494

IUPAC3-methoxy-N-[2-(2-methylprop-2-enoxy)ethyl]benzamide
SMILESC=C(C)COCCNC(=O)c1cccc(OC)c1
InChIInChI=1S/C14H19NO3/c1-11(2)10-18-8-7-15-14(16)12-5-4-6-13(9-12)17-3/h4-6,9H,1,7-8,10H2,2-3H3,(H,15,16)
InChIKeyLLVAQPPOUSDHJI-UHFFFAOYSA-N
MW249.31 g/mol
LogP2.02
Rot. Bonds7

About 3-methoxy-N-[2-(2-methylprop-2-enoxy)ethyl]benzamide

3-methoxy-N-[2-(2-methylprop-2-enoxy)ethyl]benzamide (PubChem CID 115699494) has the molecular formula C14H19NO3 and a molecular weight of 249.31 g/mol. Its IUPAC name is 3-methoxy-N-[2-(2-methylprop-2-enoxy)ethyl]benzamide.

Molecular Properties

Compound Name3-methoxy-N-[2-(2-methylprop-2-enoxy)ethyl]benzamide
PubChem CID115699494
Molecular FormulaC14H19NO3
Molecular Weight249.31 g/mol
Exact Mass249.14
IUPAC Name3-methoxy-N-[2-(2-methylprop-2-enoxy)ethyl]benzamide
SMILESC=C(C)COCCNC(=O)c1cccc(OC)c1
InChIInChI=1S/C14H19NO3/c1-11(2)10-18-8-7-15-14(16)12-5-4-6-13(9-12)17-3/h4-6,9H,1,7-8,10H2,2-3H3,(H,15,16)
InChIKeyLLVAQPPOUSDHJI-UHFFFAOYSA-N
XLogP2.02
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.31
LogP ≤ 52.02
H-Bond Donors ≤ 51
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

3-[2-[(3-methoxybenzoyl)amino]ethoxy]propanoic acid
CID 112739190
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3-(2-methylprop-2-enoxy)-N-propylbenzamide
CID 17133083
N-(6-bromohexyl)-3-methoxybenzamide
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3-methoxy-N-[2-(4-methylphenoxy)ethyl]benzamide
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CID 114469543
N-[2-[(3-methoxybenzoyl)amino]ethyl]-3,4-dimethylbenzamide
CID 108539237
3-methoxy-N-tridecylbenzamide
CID 139819898
3-N-(2-methoxyethyl)-1-N-[2-(3-methoxyphenyl)ethyl]benzene-1,3-dicarboxamide
CID 109052520
4-methoxy-N-[2-(2-methylprop-2-enoxy)ethyl]thiophene-2-carboxamide
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CID 19174692

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-N-[2-(2-methylprop-2-enoxy)ethyl]benzamide?
The IUPAC name of 3-methoxy-N-[2-(2-methylprop-2-enoxy)ethyl]benzamide (CID 115699494) is 3-methoxy-N-[2-(2-methylprop-2-enoxy)ethyl]benzamide.
What is the SMILES notation for 3-methoxy-N-[2-(2-methylprop-2-enoxy)ethyl]benzamide?
The canonical SMILES for 3-methoxy-N-[2-(2-methylprop-2-enoxy)ethyl]benzamide is C=C(C)COCCNC(=O)c1cccc(OC)c1.
What is the InChIKey of 3-methoxy-N-[2-(2-methylprop-2-enoxy)ethyl]benzamide?
The InChIKey is LLVAQPPOUSDHJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO3/c1-11(2)10-18-8-7-15-14(16)12-5-4-6-13(9-12)17-3/h4-6,9H,1,7-8,10H2,2-3H3,(H,15,16).
What are the key properties of 3-methoxy-N-[2-(2-methylprop-2-enoxy)ethyl]benzamide?
3-methoxy-N-[2-(2-methylprop-2-enoxy)ethyl]benzamide has a molecular weight of 249.31 g/mol, XLogP of 2.02, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-N-[2-(2-methylprop-2-enoxy)ethyl]benzamide is sourced from PubChem (CID 115699494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).