3-amino-N-(2,3-dihydro-1,4-benzodioxin-5-yl)cyclohexane-1-carboxamide;hydrochloride

C15H21ClN2O3 — CID 119740865

IUPAC3-amino-N-(2,3-dihydro-1,4-benzodioxin-5-yl)cyclohexane-1-carboxamide;hydrochloride
SMILESCl.NC1CCCC(C(=O)Nc2cccc3c2OCCO3)C1
InChIInChI=1S/C15H20N2O3.ClH/c16-11-4-1-3-10(9-11)15(18)17-12-5-2-6-13-14(12)20-8-7-19-13;/h2,5-6,10-11H,1,3-4,7-9,16H2,(H,17,18);1H
InChIKeyAEWFYDGYVQURJE-UHFFFAOYSA-N
MW312.80 g/mol
LogP2.34
Rot. Bonds2

About 3-amino-N-(2,3-dihydro-1,4-benzodioxin-5-yl)cyclohexane-1-carboxamide;hydrochloride

3-amino-N-(2,3-dihydro-1,4-benzodioxin-5-yl)cyclohexane-1-carboxamide;hydrochloride (PubChem CID 119740865) has the molecular formula C15H21ClN2O3 and a molecular weight of 312.80 g/mol. Its IUPAC name is 3-amino-N-(2,3-dihydro-1,4-benzodioxin-5-yl)cyclohexane-1-carboxamide;hydrochloride.

Molecular Properties

Compound Name3-amino-N-(2,3-dihydro-1,4-benzodioxin-5-yl)cyclohexane-1-carboxamide;hydrochloride
PubChem CID119740865
Molecular FormulaC15H21ClN2O3
Molecular Weight312.80 g/mol
Exact Mass312.12
IUPAC Name3-amino-N-(2,3-dihydro-1,4-benzodioxin-5-yl)cyclohexane-1-carboxamide;hydrochloride
SMILESCl.NC1CCCC(C(=O)Nc2cccc3c2OCCO3)C1
InChIInChI=1S/C15H20N2O3.ClH/c16-11-4-1-3-10(9-11)15(18)17-12-5-2-6-13-14(12)20-8-7-19-13;/h2,5-6,10-11H,1,3-4,7-9,16H2,(H,17,18);1H
InChIKeyAEWFYDGYVQURJE-UHFFFAOYSA-N
XLogP2.34
TPSA73.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.80
LogP ≤ 52.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

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3-amino-N-naphthalen-1-ylcyclohexane-1-carboxamide;hydrochloride
CID 119671192
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CID 119764037
3-amino-N-[2-(dimethylamino)phenyl]cyclohexane-1-carboxamide
CID 63044143
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3-amino-N-[2-(methanesulfonamido)phenyl]cyclohexane-1-carboxamide;hydrochloride
CID 119704020
cis-(1R,3S)-3-(2,3-dihydro-1,4-benzodioxin-5-ylcarbamoyl)-2,2-dimethylcyclopropane-1-carboxylic acid
CID 122066114
3-amino-N-[4-(cyclopropanecarbonylamino)phenyl]cyclohexane-1-carboxamide;hydrochloride
CID 119700136
3-amino-N-(2-cyano-3-fluorophenyl)cyclohexane-1-carboxamide
CID 63041812
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Frequently Asked Questions

What is the IUPAC name of 3-amino-N-(2,3-dihydro-1,4-benzodioxin-5-yl)cyclohexane-1-carboxamide;hydrochloride?
The IUPAC name of 3-amino-N-(2,3-dihydro-1,4-benzodioxin-5-yl)cyclohexane-1-carboxamide;hydrochloride (CID 119740865) is 3-amino-N-(2,3-dihydro-1,4-benzodioxin-5-yl)cyclohexane-1-carboxamide;hydrochloride.
What is the SMILES notation for 3-amino-N-(2,3-dihydro-1,4-benzodioxin-5-yl)cyclohexane-1-carboxamide;hydrochloride?
The canonical SMILES for 3-amino-N-(2,3-dihydro-1,4-benzodioxin-5-yl)cyclohexane-1-carboxamide;hydrochloride is Cl.NC1CCCC(C(=O)Nc2cccc3c2OCCO3)C1.
What is the InChIKey of 3-amino-N-(2,3-dihydro-1,4-benzodioxin-5-yl)cyclohexane-1-carboxamide;hydrochloride?
The InChIKey is AEWFYDGYVQURJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O3.ClH/c16-11-4-1-3-10(9-11)15(18)17-12-5-2-6-13-14(12)20-8-7-19-13;/h2,5-6,10-11H,1,3-4,7-9,16H2,(H,17,18);1H.
What are the key properties of 3-amino-N-(2,3-dihydro-1,4-benzodioxin-5-yl)cyclohexane-1-carboxamide;hydrochloride?
3-amino-N-(2,3-dihydro-1,4-benzodioxin-5-yl)cyclohexane-1-carboxamide;hydrochloride has a molecular weight of 312.80 g/mol, XLogP of 2.34, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-(2,3-dihydro-1,4-benzodioxin-5-yl)cyclohexane-1-carboxamide;hydrochloride is sourced from PubChem (CID 119740865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).