N-(3-amino-2,2-dimethylpropyl)-5-methoxy-N-methyl-2,3-dihydro-1,4-benzodioxine-7-carboxamide;hydrochloride

C16H25ClN2O4 — CID 119656792

IUPACN-(3-amino-2,2-dimethylpropyl)-5-methoxy-N-methyl-2,3-dihydro-1,4-benzodioxine-7-carboxamide;hydrochloride
SMILESCOc1cc(C(=O)N(C)CC(C)(C)CN)cc2c1OCCO2.Cl
InChIInChI=1S/C16H24N2O4.ClH/c1-16(2,9-17)10-18(3)15(19)11-7-12(20-4)14-13(8-11)21-5-6-22-14;/h7-8H,5-6,9-10,17H2,1-4H3;1H
InChIKeyCQRLGACEORZUBD-UHFFFAOYSA-N
MW344.84 g/mol
LogP1.95
Rot. Bonds5

About N-(3-amino-2,2-dimethylpropyl)-5-methoxy-N-methyl-2,3-dihydro-1,4-benzodioxine-7-carboxamide;hydrochloride

N-(3-amino-2,2-dimethylpropyl)-5-methoxy-N-methyl-2,3-dihydro-1,4-benzodioxine-7-carboxamide;hydrochloride (PubChem CID 119656792) has the molecular formula C16H25ClN2O4 and a molecular weight of 344.84 g/mol. Its IUPAC name is N-(3-amino-2,2-dimethylpropyl)-5-methoxy-N-methyl-2,3-dihydro-1,4-benzodioxine-7-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-(3-amino-2,2-dimethylpropyl)-5-methoxy-N-methyl-2,3-dihydro-1,4-benzodioxine-7-carboxamide;hydrochloride
PubChem CID119656792
Molecular FormulaC16H25ClN2O4
Molecular Weight344.84 g/mol
Exact Mass344.15
IUPAC NameN-(3-amino-2,2-dimethylpropyl)-5-methoxy-N-methyl-2,3-dihydro-1,4-benzodioxine-7-carboxamide;hydrochloride
SMILESCOc1cc(C(=O)N(C)CC(C)(C)CN)cc2c1OCCO2.Cl
InChIInChI=1S/C16H24N2O4.ClH/c1-16(2,9-17)10-18(3)15(19)11-7-12(20-4)14-13(8-11)21-5-6-22-14;/h7-8H,5-6,9-10,17H2,1-4H3;1H
InChIKeyCQRLGACEORZUBD-UHFFFAOYSA-N
XLogP1.95
TPSA74.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.84
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-(3-amino-2,2-dimethylpropyl)-5-methoxy-N-methyl-2,3-dihydro-1,4-benzodioxine-7-carboxamide;hydrochloride with MolForge

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Related Compounds

N-(3-amino-2,2-dimethylpropyl)-7-chloro-N-methyl-1,3-benzodioxole-5-carboxamide
CID 119656709
5-methoxy-N-methyl-N-[(3-methylthiophen-2-yl)methyl]-2,3-dihydro-1,4-benzodioxine-7-carboxamide
CID 51201405
5-methoxy-N-methyl-N-[2-(4-methylanilino)-2-oxoethyl]-2,3-dihydro-1,4-benzodioxine-7-carboxamide
CID 9374583
N-(3-amino-2,2-dimethylpropyl)-4,5-dichloro-2-methoxy-N-methylbenzamide
CID 119655324
5-methoxy-N-methyl-N-[(4-prop-2-enoxyphenyl)methyl]-2,3-dihydro-1,4-benzodioxine-7-carboxamide
CID 24544796
N-[2-(ethylamino)ethyl]-5-methoxy-2,3-dihydro-1,4-benzodioxine-7-carboxamide;hydrochloride
CID 119509241
N-(2-tert-butylsulfanylethyl)-5-methoxy-2,3-dihydro-1,4-benzodioxine-7-carboxamide
CID 71879810
N-(3-amino-2,2-dimethylpropyl)-3,5-dichloro-N-methylbenzamide
CID 79653062
N-(3,3-dimethylbutan-2-yl)-5-methoxy-2,3-dihydro-1,4-benzodioxine-7-carboxamide
CID 56805258
2-[butan-2-yl-(5-methoxy-2,3-dihydro-1,4-benzodioxine-7-carbonyl)amino]acetic acid
CID 119954487
N-[2-(4-aminophenyl)ethyl]-5-methoxy-2,3-dihydro-1,4-benzodioxine-7-carboxamide
CID 119549582
5-methoxy-N-propan-2-yl-2,3-dihydro-1,4-benzodioxine-7-carboxamide
CID 17394860

Frequently Asked Questions

What is the IUPAC name of N-(3-amino-2,2-dimethylpropyl)-5-methoxy-N-methyl-2,3-dihydro-1,4-benzodioxine-7-carboxamide;hydrochloride?
The IUPAC name of N-(3-amino-2,2-dimethylpropyl)-5-methoxy-N-methyl-2,3-dihydro-1,4-benzodioxine-7-carboxamide;hydrochloride (CID 119656792) is N-(3-amino-2,2-dimethylpropyl)-5-methoxy-N-methyl-2,3-dihydro-1,4-benzodioxine-7-carboxamide;hydrochloride.
What is the SMILES notation for N-(3-amino-2,2-dimethylpropyl)-5-methoxy-N-methyl-2,3-dihydro-1,4-benzodioxine-7-carboxamide;hydrochloride?
The canonical SMILES for N-(3-amino-2,2-dimethylpropyl)-5-methoxy-N-methyl-2,3-dihydro-1,4-benzodioxine-7-carboxamide;hydrochloride is COc1cc(C(=O)N(C)CC(C)(C)CN)cc2c1OCCO2.Cl.
What is the InChIKey of N-(3-amino-2,2-dimethylpropyl)-5-methoxy-N-methyl-2,3-dihydro-1,4-benzodioxine-7-carboxamide;hydrochloride?
The InChIKey is CQRLGACEORZUBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O4.ClH/c1-16(2,9-17)10-18(3)15(19)11-7-12(20-4)14-13(8-11)21-5-6-22-14;/h7-8H,5-6,9-10,17H2,1-4H3;1H.
What are the key properties of N-(3-amino-2,2-dimethylpropyl)-5-methoxy-N-methyl-2,3-dihydro-1,4-benzodioxine-7-carboxamide;hydrochloride?
N-(3-amino-2,2-dimethylpropyl)-5-methoxy-N-methyl-2,3-dihydro-1,4-benzodioxine-7-carboxamide;hydrochloride has a molecular weight of 344.84 g/mol, XLogP of 1.95, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-amino-2,2-dimethylpropyl)-5-methoxy-N-methyl-2,3-dihydro-1,4-benzodioxine-7-carboxamide;hydrochloride is sourced from PubChem (CID 119656792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).