N-[2-(hydroxymethyl)cyclopentyl]-2,3-dihydro-1,4-benzodioxine-3-carboxamide

C15H19NO4 — CID 103774164

IUPACN-[2-(hydroxymethyl)cyclopentyl]-2,3-dihydro-1,4-benzodioxine-3-carboxamide
SMILESO=C(NC1CCCC1CO)C1COc2ccccc2O1
InChIInChI=1S/C15H19NO4/c17-8-10-4-3-5-11(10)16-15(18)14-9-19-12-6-1-2-7-13(12)20-14/h1-2,6-7,10-11,14,17H,3-5,8-9H2,(H,16,18)
InChIKeyIMFHGKVRTALBOF-UHFFFAOYSA-N
MW277.32 g/mol
LogP1.10
Rot. Bonds3

About N-[2-(hydroxymethyl)cyclopentyl]-2,3-dihydro-1,4-benzodioxine-3-carboxamide

N-[2-(hydroxymethyl)cyclopentyl]-2,3-dihydro-1,4-benzodioxine-3-carboxamide (PubChem CID 103774164) has the molecular formula C15H19NO4 and a molecular weight of 277.32 g/mol. Its IUPAC name is N-[2-(hydroxymethyl)cyclopentyl]-2,3-dihydro-1,4-benzodioxine-3-carboxamide.

Molecular Properties

Compound NameN-[2-(hydroxymethyl)cyclopentyl]-2,3-dihydro-1,4-benzodioxine-3-carboxamide
PubChem CID103774164
Molecular FormulaC15H19NO4
Molecular Weight277.32 g/mol
Exact Mass277.13
IUPAC NameN-[2-(hydroxymethyl)cyclopentyl]-2,3-dihydro-1,4-benzodioxine-3-carboxamide
SMILESO=C(NC1CCCC1CO)C1COc2ccccc2O1
InChIInChI=1S/C15H19NO4/c17-8-10-4-3-5-11(10)16-15(18)14-9-19-12-6-1-2-7-13(12)20-14/h1-2,6-7,10-11,14,17H,3-5,8-9H2,(H,16,18)
InChIKeyIMFHGKVRTALBOF-UHFFFAOYSA-N
XLogP1.10
TPSA67.79 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.32
LogP ≤ 51.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(hydroxymethyl)cyclopentyl]-2-methyl-2,3-dihydro-1,4-benzodioxine-3-carboxamide
CID 103774219
(3R)-N-cycloheptyl-2,3-dihydro-1,4-benzodioxine-3-carboxamide
CID 2176720
(3R)-N-cyclooctyl-2,3-dihydro-1,4-benzodioxine-3-carboxamide
CID 2397752
N-[2-(hydroxymethyl)cyclohexyl]-3,4-dihydro-2H-chromene-3-carboxamide
CID 103798575
N-(2-methylpiperidin-3-yl)-2,3-dihydro-1,4-benzodioxine-3-carboxamide;hydrochloride
CID 120577340
N-[[2-(chloromethyl)cyclopentyl]methyl]-2,3-dihydro-1,4-benzodioxine-3-carboxamide
CID 114306810
cis-(1S,3R)-3-(2,3-dihydro-1,4-benzodioxine-3-carbonylamino)cyclopentane-1-carboxylic acid
CID 120676420
3-(2,3-dihydro-1,4-benzodioxine-3-carbonylamino)cyclopentane-1-carboxylic acid
CID 66033099
1-(3,4-dihydro-2H-chromen-3-yl)-3-[2-(hydroxymethyl)cyclohexyl]urea
CID 111630644
N-[2-(chloromethyl)cyclopentyl]-2,3-dihydro-1-benzofuran-2-carboxamide
CID 106365967
(2,3-dihydro-1,4-benzodioxine-3-carbonylamino)urea
CID 60704410
(3S)-N-carbamoyl-2,3-dihydro-1,4-benzodioxine-3-carboxamide
CID 95354893

Frequently Asked Questions

What is the IUPAC name of N-[2-(hydroxymethyl)cyclopentyl]-2,3-dihydro-1,4-benzodioxine-3-carboxamide?
The IUPAC name of N-[2-(hydroxymethyl)cyclopentyl]-2,3-dihydro-1,4-benzodioxine-3-carboxamide (CID 103774164) is N-[2-(hydroxymethyl)cyclopentyl]-2,3-dihydro-1,4-benzodioxine-3-carboxamide.
What is the SMILES notation for N-[2-(hydroxymethyl)cyclopentyl]-2,3-dihydro-1,4-benzodioxine-3-carboxamide?
The canonical SMILES for N-[2-(hydroxymethyl)cyclopentyl]-2,3-dihydro-1,4-benzodioxine-3-carboxamide is O=C(NC1CCCC1CO)C1COc2ccccc2O1.
What is the InChIKey of N-[2-(hydroxymethyl)cyclopentyl]-2,3-dihydro-1,4-benzodioxine-3-carboxamide?
The InChIKey is IMFHGKVRTALBOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NO4/c17-8-10-4-3-5-11(10)16-15(18)14-9-19-12-6-1-2-7-13(12)20-14/h1-2,6-7,10-11,14,17H,3-5,8-9H2,(H,16,18).
What are the key properties of N-[2-(hydroxymethyl)cyclopentyl]-2,3-dihydro-1,4-benzodioxine-3-carboxamide?
N-[2-(hydroxymethyl)cyclopentyl]-2,3-dihydro-1,4-benzodioxine-3-carboxamide has a molecular weight of 277.32 g/mol, XLogP of 1.10, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(hydroxymethyl)cyclopentyl]-2,3-dihydro-1,4-benzodioxine-3-carboxamide is sourced from PubChem (CID 103774164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).