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

C19H29NO3 — CID 55451236

IUPAC3,4-dimethoxy-N-(5-methylhexan-2-yl)-5-prop-2-enylbenzamide
SMILESC=CCc1cc(C(=O)NC(C)CCC(C)C)cc(OC)c1OC
InChIInChI=1S/C19H29NO3/c1-7-8-15-11-16(12-17(22-5)18(15)23-6)19(21)20-14(4)10-9-13(2)3/h7,11-14H,1,8-10H2,2-6H3,(H,20,21)
InChIKeyAOSHEOQNLMGSSU-UHFFFAOYSA-N
MW319.45 g/mol
LogP3.99
Rot. Bonds9

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

3,4-dimethoxy-N-(5-methylhexan-2-yl)-5-prop-2-enylbenzamide (PubChem CID 55451236) has the molecular formula C19H29NO3 and a molecular weight of 319.45 g/mol. Its IUPAC name is 3,4-dimethoxy-N-(5-methylhexan-2-yl)-5-prop-2-enylbenzamide.

Molecular Properties

Compound Name3,4-dimethoxy-N-(5-methylhexan-2-yl)-5-prop-2-enylbenzamide
PubChem CID55451236
Molecular FormulaC19H29NO3
Molecular Weight319.45 g/mol
Exact Mass319.21
IUPAC Name3,4-dimethoxy-N-(5-methylhexan-2-yl)-5-prop-2-enylbenzamide
SMILESC=CCc1cc(C(=O)NC(C)CCC(C)C)cc(OC)c1OC
InChIInChI=1S/C19H29NO3/c1-7-8-15-11-16(12-17(22-5)18(15)23-6)19(21)20-14(4)10-9-13(2)3/h7,11-14H,1,8-10H2,2-6H3,(H,20,21)
InChIKeyAOSHEOQNLMGSSU-UHFFFAOYSA-N
XLogP3.99
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.45
LogP ≤ 53.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 3,4-dimethoxy-N-(5-methylhexan-2-yl)-5-prop-2-enylbenzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3,4-dimethoxy-N-(3-methylbutan-2-yl)-5-prop-2-enylbenzamide
CID 43035063
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
N-(4-bromobutan-2-yl)-3,4,5-trimethoxybenzamide
CID 83178838
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-[[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-(aminomethyl)cyclopentyl]-3,4-dimethoxy-5-prop-2-enylbenzamide
CID 119567229
N-(2-fluorophenyl)-3,4-dimethoxy-5-prop-2-enylbenzamide
CID 17413361
N-(2-bromophenyl)-3,4-dimethoxy-5-prop-2-enylbenzamide
CID 31841522

Frequently Asked Questions

What is the IUPAC name of 3,4-dimethoxy-N-(5-methylhexan-2-yl)-5-prop-2-enylbenzamide?
The IUPAC name of 3,4-dimethoxy-N-(5-methylhexan-2-yl)-5-prop-2-enylbenzamide (CID 55451236) is 3,4-dimethoxy-N-(5-methylhexan-2-yl)-5-prop-2-enylbenzamide.
What is the SMILES notation for 3,4-dimethoxy-N-(5-methylhexan-2-yl)-5-prop-2-enylbenzamide?
The canonical SMILES for 3,4-dimethoxy-N-(5-methylhexan-2-yl)-5-prop-2-enylbenzamide is C=CCc1cc(C(=O)NC(C)CCC(C)C)cc(OC)c1OC.
What is the InChIKey of 3,4-dimethoxy-N-(5-methylhexan-2-yl)-5-prop-2-enylbenzamide?
The InChIKey is AOSHEOQNLMGSSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29NO3/c1-7-8-15-11-16(12-17(22-5)18(15)23-6)19(21)20-14(4)10-9-13(2)3/h7,11-14H,1,8-10H2,2-6H3,(H,20,21).
What are the key properties of 3,4-dimethoxy-N-(5-methylhexan-2-yl)-5-prop-2-enylbenzamide?
3,4-dimethoxy-N-(5-methylhexan-2-yl)-5-prop-2-enylbenzamide has a molecular weight of 319.45 g/mol, XLogP of 3.99, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dimethoxy-N-(5-methylhexan-2-yl)-5-prop-2-enylbenzamide is sourced from PubChem (CID 55451236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).