N-[(E)-[(E)-3-(1,3-benzodioxol-5-yl)prop-2-enylidene]amino]-2-(3,4-dimethoxyphenyl)acetamide

C20H20N2O5 — CID 6883035

IUPACN-[(E)-[(E)-3-(1,3-benzodioxol-5-yl)prop-2-enylidene]amino]-2-(3,4-dimethoxyphenyl)acetamide
SMILESCOc1ccc(CC(=O)N/N=C/C=C/c2ccc3c(c2)OCO3)cc1OC
InChIInChI=1S/C20H20N2O5/c1-24-16-7-6-15(11-18(16)25-2)12-20(23)22-21-9-3-4-14-5-8-17-19(10-14)27-13-26-17/h3-11H,12-13H2,1-2H3,(H,22,23)/b4-3+,21-9+
InChIKeyPRROCEQHCMIAAZ-XCPVHJTNSA-N
MW368.39 g/mol
LogP2.79
Rot. Bonds7

About N-[(E)-[(E)-3-(1,3-benzodioxol-5-yl)prop-2-enylidene]amino]-2-(3,4-dimethoxyphenyl)acetamide

N-[(E)-[(E)-3-(1,3-benzodioxol-5-yl)prop-2-enylidene]amino]-2-(3,4-dimethoxyphenyl)acetamide (PubChem CID 6883035) has the molecular formula C20H20N2O5 and a molecular weight of 368.39 g/mol. Its IUPAC name is N-[(E)-[(E)-3-(1,3-benzodioxol-5-yl)prop-2-enylidene]amino]-2-(3,4-dimethoxyphenyl)acetamide.

Molecular Properties

Compound NameN-[(E)-[(E)-3-(1,3-benzodioxol-5-yl)prop-2-enylidene]amino]-2-(3,4-dimethoxyphenyl)acetamide
PubChem CID6883035
Molecular FormulaC20H20N2O5
Molecular Weight368.39 g/mol
Exact Mass368.14
IUPAC NameN-[(E)-[(E)-3-(1,3-benzodioxol-5-yl)prop-2-enylidene]amino]-2-(3,4-dimethoxyphenyl)acetamide
SMILESCOc1ccc(CC(=O)N/N=C/C=C/c2ccc3c(c2)OCO3)cc1OC
InChIInChI=1S/C20H20N2O5/c1-24-16-7-6-15(11-18(16)25-2)12-20(23)22-21-9-3-4-14-5-8-17-19(10-14)27-13-26-17/h3-11H,12-13H2,1-2H3,(H,22,23)/b4-3+,21-9+
InChIKeyPRROCEQHCMIAAZ-XCPVHJTNSA-N
XLogP2.79
TPSA78.38 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.39
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[(E)-[(E)-3-(1,3-benzodioxol-5-yl)prop-2-enylidene]amino]-2-(3,4-dimethoxyphenyl)acetamide?
The IUPAC name of N-[(E)-[(E)-3-(1,3-benzodioxol-5-yl)prop-2-enylidene]amino]-2-(3,4-dimethoxyphenyl)acetamide (CID 6883035) is N-[(E)-[(E)-3-(1,3-benzodioxol-5-yl)prop-2-enylidene]amino]-2-(3,4-dimethoxyphenyl)acetamide.
What is the SMILES notation for N-[(E)-[(E)-3-(1,3-benzodioxol-5-yl)prop-2-enylidene]amino]-2-(3,4-dimethoxyphenyl)acetamide?
The canonical SMILES for N-[(E)-[(E)-3-(1,3-benzodioxol-5-yl)prop-2-enylidene]amino]-2-(3,4-dimethoxyphenyl)acetamide is COc1ccc(CC(=O)N/N=C/C=C/c2ccc3c(c2)OCO3)cc1OC.
What is the InChIKey of N-[(E)-[(E)-3-(1,3-benzodioxol-5-yl)prop-2-enylidene]amino]-2-(3,4-dimethoxyphenyl)acetamide?
The InChIKey is PRROCEQHCMIAAZ-XCPVHJTNSA-N. The full InChI is InChI=1S/C20H20N2O5/c1-24-16-7-6-15(11-18(16)25-2)12-20(23)22-21-9-3-4-14-5-8-17-19(10-14)27-13-26-17/h3-11H,12-13H2,1-2H3,(H,22,23)/b4-3+,21-9+.
What are the key properties of N-[(E)-[(E)-3-(1,3-benzodioxol-5-yl)prop-2-enylidene]amino]-2-(3,4-dimethoxyphenyl)acetamide?
N-[(E)-[(E)-3-(1,3-benzodioxol-5-yl)prop-2-enylidene]amino]-2-(3,4-dimethoxyphenyl)acetamide has a molecular weight of 368.39 g/mol, XLogP of 2.79, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-[(E)-3-(1,3-benzodioxol-5-yl)prop-2-enylidene]amino]-2-(3,4-dimethoxyphenyl)acetamide is sourced from PubChem (CID 6883035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).