3,4-dimethoxy-N-[[4-(propan-2-yloxymethyl)phenyl]methyl]-5-prop-2-enylbenzamide

C23H29NO4 — CID 55748619

IUPAC3,4-dimethoxy-N-[[4-(propan-2-yloxymethyl)phenyl]methyl]-5-prop-2-enylbenzamide
SMILESC=CCc1cc(C(=O)NCc2ccc(COC(C)C)cc2)cc(OC)c1OC
InChIInChI=1S/C23H29NO4/c1-6-7-19-12-20(13-21(26-4)22(19)27-5)23(25)24-14-17-8-10-18(11-9-17)15-28-16(2)3/h6,8-13,16H,1,7,14-15H2,2-5H3,(H,24,25)
InChIKeyUVOGYAFTYHSXEE-UHFFFAOYSA-N
MW383.49 g/mol
LogP4.29
Rot. Bonds10

About 3,4-dimethoxy-N-[[4-(propan-2-yloxymethyl)phenyl]methyl]-5-prop-2-enylbenzamide

3,4-dimethoxy-N-[[4-(propan-2-yloxymethyl)phenyl]methyl]-5-prop-2-enylbenzamide (PubChem CID 55748619) has the molecular formula C23H29NO4 and a molecular weight of 383.49 g/mol. Its IUPAC name is 3,4-dimethoxy-N-[[4-(propan-2-yloxymethyl)phenyl]methyl]-5-prop-2-enylbenzamide.

Molecular Properties

Compound Name3,4-dimethoxy-N-[[4-(propan-2-yloxymethyl)phenyl]methyl]-5-prop-2-enylbenzamide
PubChem CID55748619
Molecular FormulaC23H29NO4
Molecular Weight383.49 g/mol
Exact Mass383.21
IUPAC Name3,4-dimethoxy-N-[[4-(propan-2-yloxymethyl)phenyl]methyl]-5-prop-2-enylbenzamide
SMILESC=CCc1cc(C(=O)NCc2ccc(COC(C)C)cc2)cc(OC)c1OC
InChIInChI=1S/C23H29NO4/c1-6-7-19-12-20(13-21(26-4)22(19)27-5)23(25)24-14-17-8-10-18(11-9-17)15-28-16(2)3/h6,8-13,16H,1,7,14-15H2,2-5H3,(H,24,25)
InChIKeyUVOGYAFTYHSXEE-UHFFFAOYSA-N
XLogP4.29
TPSA56.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.49
LogP ≤ 54.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3,4-dimethoxy-5-prop-2-enyl-N-[[4-(2,2,2-trifluoroethoxymethyl)phenyl]methyl]benzamide
CID 18271704
N-[[4-(dimethylsulfamoyl)phenyl]methyl]-3,4-dimethoxy-5-prop-2-enylbenzamide
CID 55847064
3,4-dimethoxy-N-(2-methylpropyl)-5-prop-2-enylbenzamide
CID 18106056
3,4-dimethoxy-N-(3-methylbutan-2-yl)-5-prop-2-enylbenzamide
CID 43035063
3,5-dimethoxy-N-[[4-(propan-2-yloxymethyl)phenyl]methyl]benzamide
CID 47043818
3,4-dimethoxy-N-[2-(4-methoxyphenyl)ethyl]-5-prop-2-enylbenzamide
CID 31850269
3,4-dimethoxy-N-[[4-(3-oxopiperazin-1-yl)phenyl]methyl]-5-prop-2-enylbenzamide
CID 55681129
N-[(4-fluorophenyl)methyl]-4-methoxy-3-prop-2-enylbenzamide
CID 92647071
4,6,7-trimethoxy-N-[[4-(propan-2-yloxymethyl)phenyl]methyl]-1H-indole-2-carboxamide
CID 55869036
N-[[2-(diethylaminomethyl)phenyl]methyl]-3,4-dimethoxy-5-prop-2-enylbenzamide
CID 24551115
N-[(3,4-dimethoxy-5-prop-2-enylphenyl)methyl]-2-methylpropanamide
CID 49367786
3,4-dimethoxy-N-(3-phenylpropyl)-5-prop-2-enylbenzamide
CID 35806874

Frequently Asked Questions

What is the IUPAC name of 3,4-dimethoxy-N-[[4-(propan-2-yloxymethyl)phenyl]methyl]-5-prop-2-enylbenzamide?
The IUPAC name of 3,4-dimethoxy-N-[[4-(propan-2-yloxymethyl)phenyl]methyl]-5-prop-2-enylbenzamide (CID 55748619) is 3,4-dimethoxy-N-[[4-(propan-2-yloxymethyl)phenyl]methyl]-5-prop-2-enylbenzamide.
What is the SMILES notation for 3,4-dimethoxy-N-[[4-(propan-2-yloxymethyl)phenyl]methyl]-5-prop-2-enylbenzamide?
The canonical SMILES for 3,4-dimethoxy-N-[[4-(propan-2-yloxymethyl)phenyl]methyl]-5-prop-2-enylbenzamide is C=CCc1cc(C(=O)NCc2ccc(COC(C)C)cc2)cc(OC)c1OC.
What is the InChIKey of 3,4-dimethoxy-N-[[4-(propan-2-yloxymethyl)phenyl]methyl]-5-prop-2-enylbenzamide?
The InChIKey is UVOGYAFTYHSXEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29NO4/c1-6-7-19-12-20(13-21(26-4)22(19)27-5)23(25)24-14-17-8-10-18(11-9-17)15-28-16(2)3/h6,8-13,16H,1,7,14-15H2,2-5H3,(H,24,25).
What are the key properties of 3,4-dimethoxy-N-[[4-(propan-2-yloxymethyl)phenyl]methyl]-5-prop-2-enylbenzamide?
3,4-dimethoxy-N-[[4-(propan-2-yloxymethyl)phenyl]methyl]-5-prop-2-enylbenzamide has a molecular weight of 383.49 g/mol, XLogP of 4.29, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dimethoxy-N-[[4-(propan-2-yloxymethyl)phenyl]methyl]-5-prop-2-enylbenzamide is sourced from PubChem (CID 55748619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).