3,4-dimethoxy-N-(2-methylpropyl)-5-prop-2-enylbenzamide

C16H23NO3 — CID 18106056

IUPAC3,4-dimethoxy-N-(2-methylpropyl)-5-prop-2-enylbenzamide
SMILESC=CCc1cc(C(=O)NCC(C)C)cc(OC)c1OC
InChIInChI=1S/C16H23NO3/c1-6-7-12-8-13(16(18)17-10-11(2)3)9-14(19-4)15(12)20-5/h6,8-9,11H,1,7,10H2,2-5H3,(H,17,18)
InChIKeyWABIPCXROKOWAA-UHFFFAOYSA-N
MW277.36 g/mol
LogP2.82
Rot. Bonds7

About 3,4-dimethoxy-N-(2-methylpropyl)-5-prop-2-enylbenzamide

3,4-dimethoxy-N-(2-methylpropyl)-5-prop-2-enylbenzamide (PubChem CID 18106056) has the molecular formula C16H23NO3 and a molecular weight of 277.36 g/mol. Its IUPAC name is 3,4-dimethoxy-N-(2-methylpropyl)-5-prop-2-enylbenzamide.

Molecular Properties

Compound Name3,4-dimethoxy-N-(2-methylpropyl)-5-prop-2-enylbenzamide
PubChem CID18106056
Molecular FormulaC16H23NO3
Molecular Weight277.36 g/mol
Exact Mass277.17
IUPAC Name3,4-dimethoxy-N-(2-methylpropyl)-5-prop-2-enylbenzamide
SMILESC=CCc1cc(C(=O)NCC(C)C)cc(OC)c1OC
InChIInChI=1S/C16H23NO3/c1-6-7-12-8-13(16(18)17-10-11(2)3)9-14(19-4)15(12)20-5/h6,8-9,11H,1,7,10H2,2-5H3,(H,17,18)
InChIKeyWABIPCXROKOWAA-UHFFFAOYSA-N
XLogP2.82
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.36
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3,4-dimethoxy-N-(5-methylhexan-2-yl)-5-prop-2-enylbenzamide
CID 55451236
3,4-dimethoxy-N-(3-methylbutan-2-yl)-5-prop-2-enylbenzamide
CID 43035063
N-[2-(ethylamino)-2-oxoethyl]-3,4-dimethoxy-5-prop-2-enylbenzamide
CID 18145820
3,4-dimethoxy-N-[[4-(propan-2-yloxymethyl)phenyl]methyl]-5-prop-2-enylbenzamide
CID 55748619
3,4-dimethoxy-N-[4-(methylamino)-4-oxobutyl]-5-prop-2-enylbenzamide
CID 155945725
N-(1-amino-4-methylpentan-2-yl)-3,4-dimethoxy-5-prop-2-enylbenzamide;hydrochloride
CID 119587638
3,4-dimethoxy-N-[2-(4-methoxyphenyl)ethyl]-5-prop-2-enylbenzamide
CID 31850269
3,4-dimethoxy-N-(3-phenylpropyl)-5-prop-2-enylbenzamide
CID 35806874
N-(4-hydroxycyclohexyl)-3,4-dimethoxy-5-prop-2-enylbenzamide
CID 86911892
N-[[2-(diethylaminomethyl)phenyl]methyl]-3,4-dimethoxy-5-prop-2-enylbenzamide
CID 24551115
N-[2-(furan-2-yl)ethyl]-3,4-dimethoxy-5-prop-2-enylbenzamide
CID 18111345
N-[1-(3,4-difluorophenyl)ethyl]-3,4-dimethoxy-5-prop-2-enylbenzamide
CID 24532069

Frequently Asked Questions

What is the IUPAC name of 3,4-dimethoxy-N-(2-methylpropyl)-5-prop-2-enylbenzamide?
The IUPAC name of 3,4-dimethoxy-N-(2-methylpropyl)-5-prop-2-enylbenzamide (CID 18106056) is 3,4-dimethoxy-N-(2-methylpropyl)-5-prop-2-enylbenzamide.
What is the SMILES notation for 3,4-dimethoxy-N-(2-methylpropyl)-5-prop-2-enylbenzamide?
The canonical SMILES for 3,4-dimethoxy-N-(2-methylpropyl)-5-prop-2-enylbenzamide is C=CCc1cc(C(=O)NCC(C)C)cc(OC)c1OC.
What is the InChIKey of 3,4-dimethoxy-N-(2-methylpropyl)-5-prop-2-enylbenzamide?
The InChIKey is WABIPCXROKOWAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO3/c1-6-7-12-8-13(16(18)17-10-11(2)3)9-14(19-4)15(12)20-5/h6,8-9,11H,1,7,10H2,2-5H3,(H,17,18).
What are the key properties of 3,4-dimethoxy-N-(2-methylpropyl)-5-prop-2-enylbenzamide?
3,4-dimethoxy-N-(2-methylpropyl)-5-prop-2-enylbenzamide has a molecular weight of 277.36 g/mol, XLogP of 2.82, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dimethoxy-N-(2-methylpropyl)-5-prop-2-enylbenzamide is sourced from PubChem (CID 18106056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).