N-(3-hydroxybutyl)-N-methyl-2,3-dihydro-1,4-benzodioxine-6-carboxamide

C14H19NO4 — CID 115673368

IUPACN-(3-hydroxybutyl)-N-methyl-2,3-dihydro-1,4-benzodioxine-6-carboxamide
SMILESCC(O)CCN(C)C(=O)c1ccc2c(c1)OCCO2
InChIInChI=1S/C14H19NO4/c1-10(16)5-6-15(2)14(17)11-3-4-12-13(9-11)19-8-7-18-12/h3-4,9-10,16H,5-8H2,1-2H3
InChIKeyRVYYWKSVQXNDSG-UHFFFAOYSA-N
MW265.31 g/mol
LogP1.30
Rot. Bonds4

About N-(3-hydroxybutyl)-N-methyl-2,3-dihydro-1,4-benzodioxine-6-carboxamide

N-(3-hydroxybutyl)-N-methyl-2,3-dihydro-1,4-benzodioxine-6-carboxamide (PubChem CID 115673368) has the molecular formula C14H19NO4 and a molecular weight of 265.31 g/mol. Its IUPAC name is N-(3-hydroxybutyl)-N-methyl-2,3-dihydro-1,4-benzodioxine-6-carboxamide.

Molecular Properties

Compound NameN-(3-hydroxybutyl)-N-methyl-2,3-dihydro-1,4-benzodioxine-6-carboxamide
PubChem CID115673368
Molecular FormulaC14H19NO4
Molecular Weight265.31 g/mol
Exact Mass265.13
IUPAC NameN-(3-hydroxybutyl)-N-methyl-2,3-dihydro-1,4-benzodioxine-6-carboxamide
SMILESCC(O)CCN(C)C(=O)c1ccc2c(c1)OCCO2
InChIInChI=1S/C14H19NO4/c1-10(16)5-6-15(2)14(17)11-3-4-12-13(9-11)19-8-7-18-12/h3-4,9-10,16H,5-8H2,1-2H3
InChIKeyRVYYWKSVQXNDSG-UHFFFAOYSA-N
XLogP1.30
TPSA59.00 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.31
LogP ≤ 51.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-(3-hydroxybutyl)-N-methyl-2,3-dihydro-1,4-benzodioxine-6-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-ethyl-N-methyl-2,3-dihydro-1,4-benzodioxine-6-carboxamide
CID 134057917
N-butan-2-yl-N-methyl-2,3-dihydro-1,4-benzodioxine-6-carboxamide
CID 121451464
N-(3-hydroxybutyl)-N-methyl-3-sulfanylbenzamide
CID 107035726
N-(2-hydroxyethyl)-N-methyl-1,3-benzodioxole-5-carboxamide
CID 39245580
3-fluoro-N-(3-hydroxybutyl)-N,4-dimethylbenzamide
CID 111695800
N-benzyl-N-methyl-2,3-dihydro-1,4-benzodioxine-6-carboxamide
CID 788859
N-methyl-N-(piperidin-4-ylmethyl)-2,3-dihydro-1,4-benzodioxine-6-carboxamide
CID 71642366
N-[2-(4-bromophenoxy)ethyl]-N-methyl-2,3-dihydro-1,4-benzodioxine-6-carboxamide
CID 31206491
N-(3-amino-2-methylpropyl)-N-methyl-1,3-benzodioxole-5-carboxamide
CID 54992436
7-chloro-N-(3-hydroxybutyl)-N-methyl-1,3-benzodioxole-5-carboxamide
CID 115673508
4-bromo-N-(3-hydroxybutyl)-N-methyl-3-(trifluoromethyl)benzamide
CID 115735357
N-methyl-N-[(5-methylfuran-2-yl)methyl]-2,3-dihydro-1,4-benzodioxine-6-carboxamide
CID 7535670

Frequently Asked Questions

What is the IUPAC name of N-(3-hydroxybutyl)-N-methyl-2,3-dihydro-1,4-benzodioxine-6-carboxamide?
The IUPAC name of N-(3-hydroxybutyl)-N-methyl-2,3-dihydro-1,4-benzodioxine-6-carboxamide (CID 115673368) is N-(3-hydroxybutyl)-N-methyl-2,3-dihydro-1,4-benzodioxine-6-carboxamide.
What is the SMILES notation for N-(3-hydroxybutyl)-N-methyl-2,3-dihydro-1,4-benzodioxine-6-carboxamide?
The canonical SMILES for N-(3-hydroxybutyl)-N-methyl-2,3-dihydro-1,4-benzodioxine-6-carboxamide is CC(O)CCN(C)C(=O)c1ccc2c(c1)OCCO2.
What is the InChIKey of N-(3-hydroxybutyl)-N-methyl-2,3-dihydro-1,4-benzodioxine-6-carboxamide?
The InChIKey is RVYYWKSVQXNDSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO4/c1-10(16)5-6-15(2)14(17)11-3-4-12-13(9-11)19-8-7-18-12/h3-4,9-10,16H,5-8H2,1-2H3.
What are the key properties of N-(3-hydroxybutyl)-N-methyl-2,3-dihydro-1,4-benzodioxine-6-carboxamide?
N-(3-hydroxybutyl)-N-methyl-2,3-dihydro-1,4-benzodioxine-6-carboxamide has a molecular weight of 265.31 g/mol, XLogP of 1.30, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-hydroxybutyl)-N-methyl-2,3-dihydro-1,4-benzodioxine-6-carboxamide is sourced from PubChem (CID 115673368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).