N,N-diethyl-2-methoxy-4-methyl-6-prop-2-enylbenzamide

C16H23NO2 — CID 86087942

IUPACN,N-diethyl-2-methoxy-4-methyl-6-prop-2-enylbenzamide
SMILESC=CCc1cc(C)cc(OC)c1C(=O)N(CC)CC
InChIInChI=1S/C16H23NO2/c1-6-9-13-10-12(4)11-14(19-5)15(13)16(18)17(7-2)8-3/h6,10-11H,1,7-9H2,2-5H3
InChIKeyPRQZZPOVIBHPBQ-UHFFFAOYSA-N
MW261.37 g/mol
LogP3.21
Rot. Bonds6

About N,N-diethyl-2-methoxy-4-methyl-6-prop-2-enylbenzamide

N,N-diethyl-2-methoxy-4-methyl-6-prop-2-enylbenzamide (PubChem CID 86087942) has the molecular formula C16H23NO2 and a molecular weight of 261.37 g/mol. Its IUPAC name is N,N-diethyl-2-methoxy-4-methyl-6-prop-2-enylbenzamide.

Molecular Properties

Compound NameN,N-diethyl-2-methoxy-4-methyl-6-prop-2-enylbenzamide
PubChem CID86087942
Molecular FormulaC16H23NO2
Molecular Weight261.37 g/mol
Exact Mass261.17
IUPAC NameN,N-diethyl-2-methoxy-4-methyl-6-prop-2-enylbenzamide
SMILESC=CCc1cc(C)cc(OC)c1C(=O)N(CC)CC
InChIInChI=1S/C16H23NO2/c1-6-9-13-10-12(4)11-14(19-5)15(13)16(18)17(7-2)8-3/h6,10-11H,1,7-9H2,2-5H3
InChIKeyPRQZZPOVIBHPBQ-UHFFFAOYSA-N
XLogP3.21
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.37
LogP ≤ 53.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-2-methoxy-4-methyl-6-prop-2-enylbenzamide?
The IUPAC name of N,N-diethyl-2-methoxy-4-methyl-6-prop-2-enylbenzamide (CID 86087942) is N,N-diethyl-2-methoxy-4-methyl-6-prop-2-enylbenzamide.
What is the SMILES notation for N,N-diethyl-2-methoxy-4-methyl-6-prop-2-enylbenzamide?
The canonical SMILES for N,N-diethyl-2-methoxy-4-methyl-6-prop-2-enylbenzamide is C=CCc1cc(C)cc(OC)c1C(=O)N(CC)CC.
What is the InChIKey of N,N-diethyl-2-methoxy-4-methyl-6-prop-2-enylbenzamide?
The InChIKey is PRQZZPOVIBHPBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO2/c1-6-9-13-10-12(4)11-14(19-5)15(13)16(18)17(7-2)8-3/h6,10-11H,1,7-9H2,2-5H3.
What are the key properties of N,N-diethyl-2-methoxy-4-methyl-6-prop-2-enylbenzamide?
N,N-diethyl-2-methoxy-4-methyl-6-prop-2-enylbenzamide has a molecular weight of 261.37 g/mol, XLogP of 3.21, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-2-methoxy-4-methyl-6-prop-2-enylbenzamide is sourced from PubChem (CID 86087942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).