N-[(4-methoxyphenyl)methyl]-N-prop-2-enyl-2,3-dihydro-1,4-benzodioxine-3-carboxamide

C20H21NO4 — CID 87030348

IUPACN-[(4-methoxyphenyl)methyl]-N-prop-2-enyl-2,3-dihydro-1,4-benzodioxine-3-carboxamide
SMILESC=CCN(Cc1ccc(OC)cc1)C(=O)C1COc2ccccc2O1
InChIInChI=1S/C20H21NO4/c1-3-12-21(13-15-8-10-16(23-2)11-9-15)20(22)19-14-24-17-6-4-5-7-18(17)25-19/h3-11,19H,1,12-14H2,2H3
InChIKeyLWOBJNCHMIERHI-UHFFFAOYSA-N
MW339.39 g/mol
LogP3.05
Rot. Bonds6

About N-[(4-methoxyphenyl)methyl]-N-prop-2-enyl-2,3-dihydro-1,4-benzodioxine-3-carboxamide

N-[(4-methoxyphenyl)methyl]-N-prop-2-enyl-2,3-dihydro-1,4-benzodioxine-3-carboxamide (PubChem CID 87030348) has the molecular formula C20H21NO4 and a molecular weight of 339.39 g/mol. Its IUPAC name is N-[(4-methoxyphenyl)methyl]-N-prop-2-enyl-2,3-dihydro-1,4-benzodioxine-3-carboxamide.

Molecular Properties

Compound NameN-[(4-methoxyphenyl)methyl]-N-prop-2-enyl-2,3-dihydro-1,4-benzodioxine-3-carboxamide
PubChem CID87030348
Molecular FormulaC20H21NO4
Molecular Weight339.39 g/mol
Exact Mass339.15
IUPAC NameN-[(4-methoxyphenyl)methyl]-N-prop-2-enyl-2,3-dihydro-1,4-benzodioxine-3-carboxamide
SMILESC=CCN(Cc1ccc(OC)cc1)C(=O)C1COc2ccccc2O1
InChIInChI=1S/C20H21NO4/c1-3-12-21(13-15-8-10-16(23-2)11-9-15)20(22)19-14-24-17-6-4-5-7-18(17)25-19/h3-11,19H,1,12-14H2,2H3
InChIKeyLWOBJNCHMIERHI-UHFFFAOYSA-N
XLogP3.05
TPSA48.00 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.39
LogP ≤ 53.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(3R)-N-[(3-methoxyphenyl)methyl]-N-methyl-2,3-dihydro-1,4-benzodioxine-3-carboxamide
CID 8960536
(3S)-N-ethyl-N-[2-(4-methoxyanilino)-2-oxoethyl]-2,3-dihydro-1,4-benzodioxine-3-carboxamide
CID 9094964
(3S)-N-benzyl-N-[(1R)-1-(4-methoxyphenyl)-2-[(4-methoxyphenyl)methylamino]-2-oxoethyl]-2,3-dihydro-1,4-benzodioxine-3-carboxamide
CID 1150932
N-[(4-cyanophenyl)methyl]-N-methyl-2,3-dihydro-1,4-benzodioxine-3-carboxamide
CID 134054803
2,2,2-tribromo-N-[(4-methoxyphenyl)methyl]-N-prop-2-enylacetamide
CID 10527770
N-[(4-methoxyphenyl)methyl]-N-prop-2-enylpiperidine-3-carboxamide;hydrochloride
CID 119299361
3-amino-N-[(4-methoxyphenyl)methyl]-N-prop-2-enylcyclohexane-1-carboxamide
CID 119741679
(3S)-N-methyl-N-[(4-methylsulfanylphenyl)methyl]-2,3-dihydro-1,4-benzodioxine-3-carboxamide
CID 2715568
(3R)-N-benzyl-N-[(1S)-2-(cyclopentylamino)-1-(4-methoxyphenyl)-2-oxoethyl]-2,3-dihydro-1,4-benzodioxine-3-carboxamide
CID 1144311
N-benzyl-N-(furan-2-ylmethyl)-2,3-dihydro-1,4-benzodioxine-3-carboxamide
CID 18830920
N-[(4-but-2-ynoxyphenyl)methyl]-N-(pyridin-3-ylmethyl)-2,3-dihydro-1,4-benzodioxine-3-carboxamide
CID 45224339
N-[1-(4-methoxyphenoxy)propan-2-yl]-2,3-dihydro-1,4-benzodioxine-3-carboxamide
CID 132652408

Frequently Asked Questions

What is the IUPAC name of N-[(4-methoxyphenyl)methyl]-N-prop-2-enyl-2,3-dihydro-1,4-benzodioxine-3-carboxamide?
The IUPAC name of N-[(4-methoxyphenyl)methyl]-N-prop-2-enyl-2,3-dihydro-1,4-benzodioxine-3-carboxamide (CID 87030348) is N-[(4-methoxyphenyl)methyl]-N-prop-2-enyl-2,3-dihydro-1,4-benzodioxine-3-carboxamide.
What is the SMILES notation for N-[(4-methoxyphenyl)methyl]-N-prop-2-enyl-2,3-dihydro-1,4-benzodioxine-3-carboxamide?
The canonical SMILES for N-[(4-methoxyphenyl)methyl]-N-prop-2-enyl-2,3-dihydro-1,4-benzodioxine-3-carboxamide is C=CCN(Cc1ccc(OC)cc1)C(=O)C1COc2ccccc2O1.
What is the InChIKey of N-[(4-methoxyphenyl)methyl]-N-prop-2-enyl-2,3-dihydro-1,4-benzodioxine-3-carboxamide?
The InChIKey is LWOBJNCHMIERHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21NO4/c1-3-12-21(13-15-8-10-16(23-2)11-9-15)20(22)19-14-24-17-6-4-5-7-18(17)25-19/h3-11,19H,1,12-14H2,2H3.
What are the key properties of N-[(4-methoxyphenyl)methyl]-N-prop-2-enyl-2,3-dihydro-1,4-benzodioxine-3-carboxamide?
N-[(4-methoxyphenyl)methyl]-N-prop-2-enyl-2,3-dihydro-1,4-benzodioxine-3-carboxamide has a molecular weight of 339.39 g/mol, XLogP of 3.05, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-methoxyphenyl)methyl]-N-prop-2-enyl-2,3-dihydro-1,4-benzodioxine-3-carboxamide is sourced from PubChem (CID 87030348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).