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

C17H25NO3 — CID 43035063

IUPAC3,4-dimethoxy-N-(3-methylbutan-2-yl)-5-prop-2-enylbenzamide
SMILESC=CCc1cc(C(=O)NC(C)C(C)C)cc(OC)c1OC
InChIInChI=1S/C17H25NO3/c1-7-8-13-9-14(10-15(20-5)16(13)21-6)17(19)18-12(4)11(2)3/h7,9-12H,1,8H2,2-6H3,(H,18,19)
InChIKeyIXBKTJORDLGXIC-UHFFFAOYSA-N
MW291.39 g/mol
LogP3.21
Rot. Bonds7

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

3,4-dimethoxy-N-(3-methylbutan-2-yl)-5-prop-2-enylbenzamide (PubChem CID 43035063) has the molecular formula C17H25NO3 and a molecular weight of 291.39 g/mol. Its IUPAC name is 3,4-dimethoxy-N-(3-methylbutan-2-yl)-5-prop-2-enylbenzamide.

Molecular Properties

Compound Name3,4-dimethoxy-N-(3-methylbutan-2-yl)-5-prop-2-enylbenzamide
PubChem CID43035063
Molecular FormulaC17H25NO3
Molecular Weight291.39 g/mol
Exact Mass291.18
IUPAC Name3,4-dimethoxy-N-(3-methylbutan-2-yl)-5-prop-2-enylbenzamide
SMILESC=CCc1cc(C(=O)NC(C)C(C)C)cc(OC)c1OC
InChIInChI=1S/C17H25NO3/c1-7-8-13-9-14(10-15(20-5)16(13)21-6)17(19)18-12(4)11(2)3/h7,9-12H,1,8H2,2-6H3,(H,18,19)
InChIKeyIXBKTJORDLGXIC-UHFFFAOYSA-N
XLogP3.21
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.39
LogP ≤ 53.21
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
3,4,5-trimethoxy-N-[(2S)-3-methylbutan-2-yl]benzamide
CID 92527695
3,4-dimethoxy-N-(2-methylpropyl)-5-prop-2-enylbenzamide
CID 18106056
N-(1-amino-4-methylpentan-2-yl)-3,4-dimethoxy-5-prop-2-enylbenzamide;hydrochloride
CID 119587638
N-[1-(3,4-difluorophenyl)ethyl]-3,4-dimethoxy-5-prop-2-enylbenzamide
CID 24532069
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-[2-(ethylamino)-2-oxoethyl]-3,4-dimethoxy-5-prop-2-enylbenzamide
CID 18145820
N-(4-hydroxycyclohexyl)-3,4-dimethoxy-5-prop-2-enylbenzamide
CID 86911892
3,4-dimethoxy-N-(3-phenylpropyl)-5-prop-2-enylbenzamide
CID 35806874
N-[1-(aminomethyl)cyclopentyl]-3,4-dimethoxy-5-prop-2-enylbenzamide
CID 119567229
N-(2-fluorophenyl)-3,4-dimethoxy-5-prop-2-enylbenzamide
CID 17413361

Frequently Asked Questions

What is the IUPAC name of 3,4-dimethoxy-N-(3-methylbutan-2-yl)-5-prop-2-enylbenzamide?
The IUPAC name of 3,4-dimethoxy-N-(3-methylbutan-2-yl)-5-prop-2-enylbenzamide (CID 43035063) is 3,4-dimethoxy-N-(3-methylbutan-2-yl)-5-prop-2-enylbenzamide.
What is the SMILES notation for 3,4-dimethoxy-N-(3-methylbutan-2-yl)-5-prop-2-enylbenzamide?
The canonical SMILES for 3,4-dimethoxy-N-(3-methylbutan-2-yl)-5-prop-2-enylbenzamide is C=CCc1cc(C(=O)NC(C)C(C)C)cc(OC)c1OC.
What is the InChIKey of 3,4-dimethoxy-N-(3-methylbutan-2-yl)-5-prop-2-enylbenzamide?
The InChIKey is IXBKTJORDLGXIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25NO3/c1-7-8-13-9-14(10-15(20-5)16(13)21-6)17(19)18-12(4)11(2)3/h7,9-12H,1,8H2,2-6H3,(H,18,19).
What are the key properties of 3,4-dimethoxy-N-(3-methylbutan-2-yl)-5-prop-2-enylbenzamide?
3,4-dimethoxy-N-(3-methylbutan-2-yl)-5-prop-2-enylbenzamide has a molecular weight of 291.39 g/mol, XLogP of 3.21, 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-(3-methylbutan-2-yl)-5-prop-2-enylbenzamide is sourced from PubChem (CID 43035063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).