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

Analyze N-(2-hydroxyethyl)-2-methyl-N-propan-2-yl-2,3-dihydro-1,4-benzodioxine-3-carboxamide 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-hydroxybutyl)-N,2-dimethyl-2,3-dihydro-1,4-benzodioxine-3-carboxamide
CID 115691468
N,N-diethyl-2-methyl-2,3-dihydro-1,4-benzodioxine-3-carboxamide
CID 60703627
N,2-dimethyl-N-(1-phenylethyl)-2,3-dihydro-1,4-benzodioxine-3-carboxamide
CID 51286352
2-methyl-2,3-dihydro-1,4-benzodioxine-3-carboxylate
CID 78428488
4-[methyl-[(2S,3S)-2-methyl-2,3-dihydro-1,4-benzodioxine-3-carbonyl]amino]butanoic acid
CID 93310404
(2R,3S)-2-methyl-N-(4-methylpentyl)-2,3-dihydro-1,4-benzodioxine-3-carboxamide
CID 93241067
N-(2-hydroxyethyl)-N-propan-2-yl-2,3-dihydro-1H-indole-2-carboxamide
CID 76893844
2-methyl-N-(1-phenylethyl)-2,3-dihydro-1,4-benzodioxine-3-carboxamide
CID 51284843
N-[2-(4-methoxyphenoxy)ethyl]-N,2-dimethyl-2,3-dihydro-1,4-benzodioxine-3-carboxamide
CID 46578162
(2S,3S)-N,2-dimethyl-N-[2-(4-methylphenoxy)ethyl]-2,3-dihydro-1,4-benzodioxine-3-carboxamide
CID 51866938
(2S)-3-methyl-2-[(2-methyl-2,3-dihydro-1,4-benzodioxine-3-carbonyl)amino]butanoic acid
CID 61136652
(2S,3R)-N-[(3R)-1,1-dioxothiolan-3-yl]-N,2-dimethyl-2,3-dihydro-1,4-benzodioxine-3-carboxamide
CID 93275715

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).