N-(2-hydroxyethyl)-2-methyl-N-propan-2-yl-2,3-dihydro-1,4-benzodioxine-3-carboxamide

C15H21NO4 — CID 43573422

IUPACN-(2-hydroxyethyl)-2-methyl-N-propan-2-yl-2,3-dihydro-1,4-benzodioxine-3-carboxamide
SMILESCC1Oc2ccccc2OC1C(=O)N(CCO)C(C)C
InChIInChI=1S/C15H21NO4/c1-10(2)16(8-9-17)15(18)14-11(3)19-12-6-4-5-7-13(12)20-14/h4-7,10-11,14,17H,8-9H2,1-3H3
InChIKeyKLYBVDOTTHIWCR-UHFFFAOYSA-N
MW279.34 g/mol
LogP1.44
Rot. Bonds4

About N-(2-hydroxyethyl)-2-methyl-N-propan-2-yl-2,3-dihydro-1,4-benzodioxine-3-carboxamide

N-(2-hydroxyethyl)-2-methyl-N-propan-2-yl-2,3-dihydro-1,4-benzodioxine-3-carboxamide (PubChem CID 43573422) has the molecular formula C15H21NO4 and a molecular weight of 279.34 g/mol. Its IUPAC name is N-(2-hydroxyethyl)-2-methyl-N-propan-2-yl-2,3-dihydro-1,4-benzodioxine-3-carboxamide.

Molecular Properties

Compound NameN-(2-hydroxyethyl)-2-methyl-N-propan-2-yl-2,3-dihydro-1,4-benzodioxine-3-carboxamide
PubChem CID43573422
Molecular FormulaC15H21NO4
Molecular Weight279.34 g/mol
Exact Mass279.15
IUPAC NameN-(2-hydroxyethyl)-2-methyl-N-propan-2-yl-2,3-dihydro-1,4-benzodioxine-3-carboxamide
SMILESCC1Oc2ccccc2OC1C(=O)N(CCO)C(C)C
InChIInChI=1S/C15H21NO4/c1-10(2)16(8-9-17)15(18)14-11(3)19-12-6-4-5-7-13(12)20-14/h4-7,10-11,14,17H,8-9H2,1-3H3
InChIKeyKLYBVDOTTHIWCR-UHFFFAOYSA-N
XLogP1.44
TPSA59.00 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.34
LogP ≤ 51.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxyethyl)-2-methyl-N-propan-2-yl-2,3-dihydro-1,4-benzodioxine-3-carboxamide?
The IUPAC name of N-(2-hydroxyethyl)-2-methyl-N-propan-2-yl-2,3-dihydro-1,4-benzodioxine-3-carboxamide (CID 43573422) is N-(2-hydroxyethyl)-2-methyl-N-propan-2-yl-2,3-dihydro-1,4-benzodioxine-3-carboxamide.
What is the SMILES notation for N-(2-hydroxyethyl)-2-methyl-N-propan-2-yl-2,3-dihydro-1,4-benzodioxine-3-carboxamide?
The canonical SMILES for N-(2-hydroxyethyl)-2-methyl-N-propan-2-yl-2,3-dihydro-1,4-benzodioxine-3-carboxamide is CC1Oc2ccccc2OC1C(=O)N(CCO)C(C)C.
What is the InChIKey of N-(2-hydroxyethyl)-2-methyl-N-propan-2-yl-2,3-dihydro-1,4-benzodioxine-3-carboxamide?
The InChIKey is KLYBVDOTTHIWCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO4/c1-10(2)16(8-9-17)15(18)14-11(3)19-12-6-4-5-7-13(12)20-14/h4-7,10-11,14,17H,8-9H2,1-3H3.
What are the key properties of N-(2-hydroxyethyl)-2-methyl-N-propan-2-yl-2,3-dihydro-1,4-benzodioxine-3-carboxamide?
N-(2-hydroxyethyl)-2-methyl-N-propan-2-yl-2,3-dihydro-1,4-benzodioxine-3-carboxamide has a molecular weight of 279.34 g/mol, XLogP of 1.44, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxyethyl)-2-methyl-N-propan-2-yl-2,3-dihydro-1,4-benzodioxine-3-carboxamide is sourced from PubChem (CID 43573422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).