N-cyclopentyl-7-methyl-2,3-dihydro-1,4-benzodioxine-6-carboxamide

C15H19NO3 — CID 110763647

IUPACN-cyclopentyl-7-methyl-2,3-dihydro-1,4-benzodioxine-6-carboxamide
SMILESCc1cc2c(cc1C(=O)NC1CCCC1)OCCO2
InChIInChI=1S/C15H19NO3/c1-10-8-13-14(19-7-6-18-13)9-12(10)15(17)16-11-4-2-3-5-11/h8-9,11H,2-7H2,1H3,(H,16,17)
InChIKeyMEDHBUYMBUNEJH-UHFFFAOYSA-N
MW261.32 g/mol
LogP2.44
Rot. Bonds2

About N-cyclopentyl-7-methyl-2,3-dihydro-1,4-benzodioxine-6-carboxamide

N-cyclopentyl-7-methyl-2,3-dihydro-1,4-benzodioxine-6-carboxamide (PubChem CID 110763647) has the molecular formula C15H19NO3 and a molecular weight of 261.32 g/mol. Its IUPAC name is N-cyclopentyl-7-methyl-2,3-dihydro-1,4-benzodioxine-6-carboxamide.

Molecular Properties

Compound NameN-cyclopentyl-7-methyl-2,3-dihydro-1,4-benzodioxine-6-carboxamide
PubChem CID110763647
Molecular FormulaC15H19NO3
Molecular Weight261.32 g/mol
Exact Mass261.14
IUPAC NameN-cyclopentyl-7-methyl-2,3-dihydro-1,4-benzodioxine-6-carboxamide
SMILESCc1cc2c(cc1C(=O)NC1CCCC1)OCCO2
InChIInChI=1S/C15H19NO3/c1-10-8-13-14(19-7-6-18-13)9-12(10)15(17)16-11-4-2-3-5-11/h8-9,11H,2-7H2,1H3,(H,16,17)
InChIKeyMEDHBUYMBUNEJH-UHFFFAOYSA-N
XLogP2.44
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.32
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-cyclopentyl-7-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-cyclohexyl-2,5-dimethylbenzamide
CID 925443
N-cyclododecyl-2,4-dimethylbenzamide
CID 19656258
5-chloro-N-cyclohexyl-2-methylbenzamide
CID 83407385
N-butyl-7-methyl-2,3-dihydro-1,4-benzodioxine-6-carboxamide
CID 110763643
N-cyclopentyl-2,4-dimethyl-5-sulfamoylbenzamide
CID 47469038
N-(cyanomethyl)-7-methyl-2,3-dihydro-1,4-benzodioxine-6-carboxamide
CID 82475079
1-N-cycloheptyl-4-N-(2,3-dihydro-1,4-benzodioxin-6-yl)benzene-1,4-dicarboxamide
CID 109048581
N-(2-methoxyethyl)-8-methyl-3,4-dihydro-2H-1,5-benzodioxepine-7-carboxamide
CID 50812310
N-cyclobutyl-4-hydroxy-2-methylbenzamide
CID 103865467
5-bromo-N-cyclobutyl-2-methylbenzamide
CID 65309674
N-cyclohexyl-2,5-dimethoxy-4-methylbenzamide
CID 110763218
7-methyl-N-(1,3-thiazol-2-yl)-2,3-dihydro-1,4-benzodioxine-6-carboxamide
CID 110763742

Frequently Asked Questions

What is the IUPAC name of N-cyclopentyl-7-methyl-2,3-dihydro-1,4-benzodioxine-6-carboxamide?
The IUPAC name of N-cyclopentyl-7-methyl-2,3-dihydro-1,4-benzodioxine-6-carboxamide (CID 110763647) is N-cyclopentyl-7-methyl-2,3-dihydro-1,4-benzodioxine-6-carboxamide.
What is the SMILES notation for N-cyclopentyl-7-methyl-2,3-dihydro-1,4-benzodioxine-6-carboxamide?
The canonical SMILES for N-cyclopentyl-7-methyl-2,3-dihydro-1,4-benzodioxine-6-carboxamide is Cc1cc2c(cc1C(=O)NC1CCCC1)OCCO2.
What is the InChIKey of N-cyclopentyl-7-methyl-2,3-dihydro-1,4-benzodioxine-6-carboxamide?
The InChIKey is MEDHBUYMBUNEJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NO3/c1-10-8-13-14(19-7-6-18-13)9-12(10)15(17)16-11-4-2-3-5-11/h8-9,11H,2-7H2,1H3,(H,16,17).
What are the key properties of N-cyclopentyl-7-methyl-2,3-dihydro-1,4-benzodioxine-6-carboxamide?
N-cyclopentyl-7-methyl-2,3-dihydro-1,4-benzodioxine-6-carboxamide has a molecular weight of 261.32 g/mol, XLogP of 2.44, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyl-7-methyl-2,3-dihydro-1,4-benzodioxine-6-carboxamide is sourced from PubChem (CID 110763647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).