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

C14H18N2O3 — CID 63251687

IUPACN-(2-aminocyclopentyl)-2,3-dihydro-1,4-benzodioxine-6-carboxamide
SMILESNC1CCCC1NC(=O)c1ccc2c(c1)OCCO2
InChIInChI=1S/C14H18N2O3/c15-10-2-1-3-11(10)16-14(17)9-4-5-12-13(8-9)19-7-6-18-12/h4-5,8,10-11H,1-3,6-7,15H2,(H,16,17)
InChIKeyDLNBLPOJBCWXMN-UHFFFAOYSA-N
MW262.31 g/mol
LogP1.07
Rot. Bonds2

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

N-(2-aminocyclopentyl)-2,3-dihydro-1,4-benzodioxine-6-carboxamide (PubChem CID 63251687) has the molecular formula C14H18N2O3 and a molecular weight of 262.31 g/mol. Its IUPAC name is N-(2-aminocyclopentyl)-2,3-dihydro-1,4-benzodioxine-6-carboxamide.

Molecular Properties

Compound NameN-(2-aminocyclopentyl)-2,3-dihydro-1,4-benzodioxine-6-carboxamide
PubChem CID63251687
Molecular FormulaC14H18N2O3
Molecular Weight262.31 g/mol
Exact Mass262.13
IUPAC NameN-(2-aminocyclopentyl)-2,3-dihydro-1,4-benzodioxine-6-carboxamide
SMILESNC1CCCC1NC(=O)c1ccc2c(c1)OCCO2
InChIInChI=1S/C14H18N2O3/c15-10-2-1-3-11(10)16-14(17)9-4-5-12-13(8-9)19-7-6-18-12/h4-5,8,10-11H,1-3,6-7,15H2,(H,16,17)
InChIKeyDLNBLPOJBCWXMN-UHFFFAOYSA-N
XLogP1.07
TPSA73.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.31
LogP ≤ 51.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2,3-dimethylcyclohexyl)-2,3-dihydro-1,4-benzodioxine-6-carboxamide
CID 25162668
N-[(1R,2R)-2-[(S)-ethylsulfinyl]cyclohexyl]-2,3-dihydro-1,4-benzodioxine-6-carboxamide
CID 124866470
N-(2-aminocyclopentyl)-3-chloro-4-hydroxybenzamide
CID 63251551
N-[2-(aminomethyl)cyclopentyl]-2,3-dihydro-1-benzofuran-5-carboxamide
CID 62955860
(2-aminocyclopentyl)-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)methanone
CID 116580186
N-(2-aminocyclopentyl)-4-fluoro-3-(trifluoromethyl)benzamide
CID 63251637
N-(2-aminocyclohexyl)-4-methylbenzamide
CID 61037352
N-(2-aminocyclopentyl)-2,3-dihydro-1,4-dioxine-5-carboxamide
CID 63251606
N-(2-aminocyclohexyl)-4-(dimethylamino)benzamide
CID 61037234
N-[(1S,2R)-2-aminocyclohexyl]benzamide
CID 15151854
N-[(1S,2S)-2-aminocyclohexyl]benzamide
CID 15151853
N-(2-aminocyclohexyl)quinoxaline-6-carboxamide
CID 62875728

Frequently Asked Questions

What is the IUPAC name of N-(2-aminocyclopentyl)-2,3-dihydro-1,4-benzodioxine-6-carboxamide?
The IUPAC name of N-(2-aminocyclopentyl)-2,3-dihydro-1,4-benzodioxine-6-carboxamide (CID 63251687) is N-(2-aminocyclopentyl)-2,3-dihydro-1,4-benzodioxine-6-carboxamide.
What is the SMILES notation for N-(2-aminocyclopentyl)-2,3-dihydro-1,4-benzodioxine-6-carboxamide?
The canonical SMILES for N-(2-aminocyclopentyl)-2,3-dihydro-1,4-benzodioxine-6-carboxamide is NC1CCCC1NC(=O)c1ccc2c(c1)OCCO2.
What is the InChIKey of N-(2-aminocyclopentyl)-2,3-dihydro-1,4-benzodioxine-6-carboxamide?
The InChIKey is DLNBLPOJBCWXMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O3/c15-10-2-1-3-11(10)16-14(17)9-4-5-12-13(8-9)19-7-6-18-12/h4-5,8,10-11H,1-3,6-7,15H2,(H,16,17).
What are the key properties of N-(2-aminocyclopentyl)-2,3-dihydro-1,4-benzodioxine-6-carboxamide?
N-(2-aminocyclopentyl)-2,3-dihydro-1,4-benzodioxine-6-carboxamide has a molecular weight of 262.31 g/mol, XLogP of 1.07, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminocyclopentyl)-2,3-dihydro-1,4-benzodioxine-6-carboxamide is sourced from PubChem (CID 63251687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).