3-amino-N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]cyclohexane-1-carboxamide;hydrochloride

C17H25ClN2O3 — CID 119688683

IUPAC3-amino-N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]cyclohexane-1-carboxamide;hydrochloride
SMILESCC(NC(=O)C1CCCC(N)C1)c1ccc2c(c1)OCCO2.Cl
InChIInChI=1S/C17H24N2O3.ClH/c1-11(19-17(20)13-3-2-4-14(18)9-13)12-5-6-15-16(10-12)22-8-7-21-15;/h5-6,10-11,13-14H,2-4,7-9,18H2,1H3,(H,19,20);1H
InChIKeyHRGMETGVINWHQE-UHFFFAOYSA-N
MW340.85 g/mol
LogP2.57
Rot. Bonds3

About 3-amino-N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]cyclohexane-1-carboxamide;hydrochloride

3-amino-N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]cyclohexane-1-carboxamide;hydrochloride (PubChem CID 119688683) has the molecular formula C17H25ClN2O3 and a molecular weight of 340.85 g/mol. Its IUPAC name is 3-amino-N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]cyclohexane-1-carboxamide;hydrochloride.

Molecular Properties

Compound Name3-amino-N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]cyclohexane-1-carboxamide;hydrochloride
PubChem CID119688683
Molecular FormulaC17H25ClN2O3
Molecular Weight340.85 g/mol
Exact Mass340.16
IUPAC Name3-amino-N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]cyclohexane-1-carboxamide;hydrochloride
SMILESCC(NC(=O)C1CCCC(N)C1)c1ccc2c(c1)OCCO2.Cl
InChIInChI=1S/C17H24N2O3.ClH/c1-11(19-17(20)13-3-2-4-14(18)9-13)12-5-6-15-16(10-12)22-8-7-21-15;/h5-6,10-11,13-14H,2-4,7-9,18H2,1H3,(H,19,20);1H
InChIKeyHRGMETGVINWHQE-UHFFFAOYSA-N
XLogP2.57
TPSA73.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.85
LogP ≤ 52.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 3-amino-N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]cyclohexane-1-carboxamide;hydrochloride with MolForge

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Related Compounds

3-amino-N-[1-(1,3-benzodioxol-5-yl)ethyl]cyclohexane-1-carboxamide;hydrochloride
CID 119699854
2-amino-N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]cyclopentane-1-carboxamide
CID 64824329
N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]piperidine-3-carboxamide;hydrochloride
CID 119270831
3-amino-N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]cyclohexane-1-carboxamide;hydrochloride
CID 119691302
3-amino-N-[(1R)-1-(4-fluorophenyl)ethyl]cyclohexane-1-carboxamide
CID 81349509
(3S)-3-N-[(1S)-1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)ethyl]piperidine-1,3-dicarboxamide
CID 39495072
(3R)-3-N-[(1S)-1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)ethyl]piperidine-1,3-dicarboxamide
CID 39495070
3-amino-N-[1-(3,4,5-trimethoxyphenyl)ethyl]cyclohexane-1-carboxamide
CID 119720260
3-amino-N-[1-(4-pyridin-4-ylphenyl)ethyl]cyclohexane-1-carboxamide;dihydrochloride
CID 119895790
3-amino-N-[1-(2-oxo-1,3-dihydroindol-5-yl)ethyl]cyclohexane-1-carboxamide;hydrochloride
CID 119736208
3-amino-N-[1-(3,4-dipropoxyphenyl)ethyl]cyclohexane-1-carboxamide
CID 119688642
(3R)-N-[(1S)-1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)ethyl]-6-oxopiperidine-3-carboxamide
CID 94170822

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]cyclohexane-1-carboxamide;hydrochloride?
The IUPAC name of 3-amino-N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]cyclohexane-1-carboxamide;hydrochloride (CID 119688683) is 3-amino-N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]cyclohexane-1-carboxamide;hydrochloride.
What is the SMILES notation for 3-amino-N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]cyclohexane-1-carboxamide;hydrochloride?
The canonical SMILES for 3-amino-N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]cyclohexane-1-carboxamide;hydrochloride is CC(NC(=O)C1CCCC(N)C1)c1ccc2c(c1)OCCO2.Cl.
What is the InChIKey of 3-amino-N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]cyclohexane-1-carboxamide;hydrochloride?
The InChIKey is HRGMETGVINWHQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O3.ClH/c1-11(19-17(20)13-3-2-4-14(18)9-13)12-5-6-15-16(10-12)22-8-7-21-15;/h5-6,10-11,13-14H,2-4,7-9,18H2,1H3,(H,19,20);1H.
What are the key properties of 3-amino-N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]cyclohexane-1-carboxamide;hydrochloride?
3-amino-N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]cyclohexane-1-carboxamide;hydrochloride has a molecular weight of 340.85 g/mol, XLogP of 2.57, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]cyclohexane-1-carboxamide;hydrochloride is sourced from PubChem (CID 119688683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).