N-(1,3-benzodioxol-5-ylmethyl)-2-(2-methoxy-4-prop-2-enylphenoxy)-N-methylacetamide

C21H23NO5 — CID 17414877

IUPACN-(1,3-benzodioxol-5-ylmethyl)-2-(2-methoxy-4-prop-2-enylphenoxy)-N-methylacetamide
SMILESC=CCc1ccc(OCC(=O)N(C)Cc2ccc3c(c2)OCO3)c(OC)c1
InChIInChI=1S/C21H23NO5/c1-4-5-15-6-8-17(19(10-15)24-3)25-13-21(23)22(2)12-16-7-9-18-20(11-16)27-14-26-18/h4,6-11H,1,5,12-14H2,2-3H3
InChIKeyVLPPDWYCSIFNBM-UHFFFAOYSA-N
MW369.42 g/mol
LogP3.19
Rot. Bonds8

About N-(1,3-benzodioxol-5-ylmethyl)-2-(2-methoxy-4-prop-2-enylphenoxy)-N-methylacetamide

N-(1,3-benzodioxol-5-ylmethyl)-2-(2-methoxy-4-prop-2-enylphenoxy)-N-methylacetamide (PubChem CID 17414877) has the molecular formula C21H23NO5 and a molecular weight of 369.42 g/mol. Its IUPAC name is N-(1,3-benzodioxol-5-ylmethyl)-2-(2-methoxy-4-prop-2-enylphenoxy)-N-methylacetamide.

Molecular Properties

Compound NameN-(1,3-benzodioxol-5-ylmethyl)-2-(2-methoxy-4-prop-2-enylphenoxy)-N-methylacetamide
PubChem CID17414877
Molecular FormulaC21H23NO5
Molecular Weight369.42 g/mol
Exact Mass369.16
IUPAC NameN-(1,3-benzodioxol-5-ylmethyl)-2-(2-methoxy-4-prop-2-enylphenoxy)-N-methylacetamide
SMILESC=CCc1ccc(OCC(=O)N(C)Cc2ccc3c(c2)OCO3)c(OC)c1
InChIInChI=1S/C21H23NO5/c1-4-5-15-6-8-17(19(10-15)24-3)25-13-21(23)22(2)12-16-7-9-18-20(11-16)27-14-26-18/h4,6-11H,1,5,12-14H2,2-3H3
InChIKeyVLPPDWYCSIFNBM-UHFFFAOYSA-N
XLogP3.19
TPSA57.23 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.42
LogP ≤ 53.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze N-(1,3-benzodioxol-5-ylmethyl)-2-(2-methoxy-4-prop-2-enylphenoxy)-N-methylacetamide 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

N-[(3-fluoro-4-methoxyphenyl)methyl]-2-(2-methoxy-4-prop-2-enylphenoxy)-N-methylacetamide
CID 78796591
N-(1,3-benzodioxol-5-ylmethyl)-2-methoxy-N-methylacetamide
CID 60656747
N-(1,3-benzodioxol-5-ylmethyl)-2-(2-bromo-4-fluorophenoxy)-N-methylacetamide
CID 18116197
N-cyclohexyl-2-(2-methoxy-4-prop-2-enylphenoxy)-N-methylacetamide
CID 112788449
N-[(3,4-dimethoxyphenyl)methyl]-N-methyl-1,3-benzodioxole-5-carboxamide
CID 18111575
N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-2-(2-formyl-4-methoxyphenoxy)-N-methylacetamide
CID 9199660
N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-(2-methoxy-4-prop-2-enylphenoxy)acetamide
CID 24683432
(E)-N-(1,3-benzodioxol-5-ylmethyl)-3-(3,4-dimethoxyphenyl)-N-methylprop-2-enamide
CID 30509695
N-(1,3-benzodioxol-5-ylmethyl)-2,6-dimethoxy-N-methylbenzamide
CID 110753656
1-(1,3-benzodioxol-5-yl)-N-[(3-methoxy-4-prop-2-enoxyphenyl)methyl]methanamine;hydrochloride
CID 6457612
2-[[2-(2-methoxy-4-prop-2-enylphenoxy)acetyl]-propan-2-ylamino]acetic acid
CID 119198611
2-[4-[(1,3-benzodioxol-5-ylmethylamino)methyl]-2-methoxyphenoxy]acetamide;hydrochloride
CID 2997355

Frequently Asked Questions

What is the IUPAC name of N-(1,3-benzodioxol-5-ylmethyl)-2-(2-methoxy-4-prop-2-enylphenoxy)-N-methylacetamide?
The IUPAC name of N-(1,3-benzodioxol-5-ylmethyl)-2-(2-methoxy-4-prop-2-enylphenoxy)-N-methylacetamide (CID 17414877) is N-(1,3-benzodioxol-5-ylmethyl)-2-(2-methoxy-4-prop-2-enylphenoxy)-N-methylacetamide.
What is the SMILES notation for N-(1,3-benzodioxol-5-ylmethyl)-2-(2-methoxy-4-prop-2-enylphenoxy)-N-methylacetamide?
The canonical SMILES for N-(1,3-benzodioxol-5-ylmethyl)-2-(2-methoxy-4-prop-2-enylphenoxy)-N-methylacetamide is C=CCc1ccc(OCC(=O)N(C)Cc2ccc3c(c2)OCO3)c(OC)c1.
What is the InChIKey of N-(1,3-benzodioxol-5-ylmethyl)-2-(2-methoxy-4-prop-2-enylphenoxy)-N-methylacetamide?
The InChIKey is VLPPDWYCSIFNBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23NO5/c1-4-5-15-6-8-17(19(10-15)24-3)25-13-21(23)22(2)12-16-7-9-18-20(11-16)27-14-26-18/h4,6-11H,1,5,12-14H2,2-3H3.
What are the key properties of N-(1,3-benzodioxol-5-ylmethyl)-2-(2-methoxy-4-prop-2-enylphenoxy)-N-methylacetamide?
N-(1,3-benzodioxol-5-ylmethyl)-2-(2-methoxy-4-prop-2-enylphenoxy)-N-methylacetamide has a molecular weight of 369.42 g/mol, XLogP of 3.19, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-benzodioxol-5-ylmethyl)-2-(2-methoxy-4-prop-2-enylphenoxy)-N-methylacetamide is sourced from PubChem (CID 17414877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).