N-[2-(4-methoxyphenoxy)ethyl]-N,2-dimethyl-2,3-dihydro-1,4-benzodioxine-3-carboxamide

C20H23NO5 — CID 46578162

IUPACN-[2-(4-methoxyphenoxy)ethyl]-N,2-dimethyl-2,3-dihydro-1,4-benzodioxine-3-carboxamide
SMILESCOc1ccc(OCCN(C)C(=O)C2Oc3ccccc3OC2C)cc1
InChIInChI=1S/C20H23NO5/c1-14-19(26-18-7-5-4-6-17(18)25-14)20(22)21(2)12-13-24-16-10-8-15(23-3)9-11-16/h4-11,14,19H,12-13H2,1-3H3
InChIKeyKNMKOCLKTMVWRL-UHFFFAOYSA-N
MW357.41 g/mol
LogP2.76
Rot. Bonds6

About N-[2-(4-methoxyphenoxy)ethyl]-N,2-dimethyl-2,3-dihydro-1,4-benzodioxine-3-carboxamide

N-[2-(4-methoxyphenoxy)ethyl]-N,2-dimethyl-2,3-dihydro-1,4-benzodioxine-3-carboxamide (PubChem CID 46578162) has the molecular formula C20H23NO5 and a molecular weight of 357.41 g/mol. Its IUPAC name is N-[2-(4-methoxyphenoxy)ethyl]-N,2-dimethyl-2,3-dihydro-1,4-benzodioxine-3-carboxamide.

Molecular Properties

Compound NameN-[2-(4-methoxyphenoxy)ethyl]-N,2-dimethyl-2,3-dihydro-1,4-benzodioxine-3-carboxamide
PubChem CID46578162
Molecular FormulaC20H23NO5
Molecular Weight357.41 g/mol
Exact Mass357.16
IUPAC NameN-[2-(4-methoxyphenoxy)ethyl]-N,2-dimethyl-2,3-dihydro-1,4-benzodioxine-3-carboxamide
SMILESCOc1ccc(OCCN(C)C(=O)C2Oc3ccccc3OC2C)cc1
InChIInChI=1S/C20H23NO5/c1-14-19(26-18-7-5-4-6-17(18)25-14)20(22)21(2)12-13-24-16-10-8-15(23-3)9-11-16/h4-11,14,19H,12-13H2,1-3H3
InChIKeyKNMKOCLKTMVWRL-UHFFFAOYSA-N
XLogP2.76
TPSA57.23 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.41
LogP ≤ 52.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

(2S,3S)-N,2-dimethyl-N-[2-(4-methylphenoxy)ethyl]-2,3-dihydro-1,4-benzodioxine-3-carboxamide
CID 51866938
4-[methyl-[(2S,3S)-2-methyl-2,3-dihydro-1,4-benzodioxine-3-carbonyl]amino]butanoic acid
CID 93310404
N-[2-(4-methoxyphenoxy)ethyl]-N-methyl-1-oxo-3,4-dihydroisochromene-3-carboxamide
CID 43020017
N-(4-methoxyphenyl)-2-methyl-2,3-dihydro-1,4-benzodioxine-3-carboxamide
CID 2902385
N-[2-(4-methoxyphenoxy)ethyl]-N-methyl-2-[(2R)-3-oxo-4H-1,4-benzoxazin-2-yl]acetamide
CID 9225247
N-[2-(4-methoxyphenoxy)ethyl]-N-methyl-1,2,3,4-tetrahydroisoquinoline-3-carboxamide;hydrochloride
CID 119271069
(2S,4S)-N-[2-(4-methoxyphenoxy)ethyl]-N,2-dimethylpiperidine-4-carboxamide
CID 120618207
(2R,3S)-2-methyl-N-(2-naphthalen-2-yloxyethyl)-2,3-dihydro-1,4-benzodioxine-3-carboxamide
CID 26037093
(2S)-2-amino-N-[2-(4-methoxyphenoxy)ethyl]-N-methylbutanamide
CID 79024598
N-[2-(4-methoxyphenoxy)ethyl]-3-(4-methoxyphenyl)-N-methylpropanamide
CID 78794099
2-(2-methoxyethoxy)-N-[2-(4-methoxyphenoxy)ethyl]-N-methylacetamide
CID 103602421
N-[2-(4-methoxyphenoxy)ethyl]-N-methylmorpholine-4-carboxamide
CID 136542154

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-methoxyphenoxy)ethyl]-N,2-dimethyl-2,3-dihydro-1,4-benzodioxine-3-carboxamide?
The IUPAC name of N-[2-(4-methoxyphenoxy)ethyl]-N,2-dimethyl-2,3-dihydro-1,4-benzodioxine-3-carboxamide (CID 46578162) is N-[2-(4-methoxyphenoxy)ethyl]-N,2-dimethyl-2,3-dihydro-1,4-benzodioxine-3-carboxamide.
What is the SMILES notation for N-[2-(4-methoxyphenoxy)ethyl]-N,2-dimethyl-2,3-dihydro-1,4-benzodioxine-3-carboxamide?
The canonical SMILES for N-[2-(4-methoxyphenoxy)ethyl]-N,2-dimethyl-2,3-dihydro-1,4-benzodioxine-3-carboxamide is COc1ccc(OCCN(C)C(=O)C2Oc3ccccc3OC2C)cc1.
What is the InChIKey of N-[2-(4-methoxyphenoxy)ethyl]-N,2-dimethyl-2,3-dihydro-1,4-benzodioxine-3-carboxamide?
The InChIKey is KNMKOCLKTMVWRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23NO5/c1-14-19(26-18-7-5-4-6-17(18)25-14)20(22)21(2)12-13-24-16-10-8-15(23-3)9-11-16/h4-11,14,19H,12-13H2,1-3H3.
What are the key properties of N-[2-(4-methoxyphenoxy)ethyl]-N,2-dimethyl-2,3-dihydro-1,4-benzodioxine-3-carboxamide?
N-[2-(4-methoxyphenoxy)ethyl]-N,2-dimethyl-2,3-dihydro-1,4-benzodioxine-3-carboxamide has a molecular weight of 357.41 g/mol, XLogP of 2.76, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-methoxyphenoxy)ethyl]-N,2-dimethyl-2,3-dihydro-1,4-benzodioxine-3-carboxamide is sourced from PubChem (CID 46578162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).