N-(3-amino-2,2-dimethylpropyl)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-methylcyclopropane-1-carboxamide;hydrochloride

C18H27ClN2O3 — CID 119656504

IUPACN-(3-amino-2,2-dimethylpropyl)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-methylcyclopropane-1-carboxamide;hydrochloride
SMILESCN(CC(C)(C)CN)C(=O)C1CC1c1ccc2c(c1)OCCO2.Cl
InChIInChI=1S/C18H26N2O3.ClH/c1-18(2,10-19)11-20(3)17(21)14-9-13(14)12-4-5-15-16(8-12)23-7-6-22-15;/h4-5,8,13-14H,6-7,9-11,19H2,1-3H3;1H
InChIKeyUGIRUJDWTGGXHD-UHFFFAOYSA-N
MW354.88 g/mol
LogP2.43
Rot. Bonds5

About N-(3-amino-2,2-dimethylpropyl)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-methylcyclopropane-1-carboxamide;hydrochloride

N-(3-amino-2,2-dimethylpropyl)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-methylcyclopropane-1-carboxamide;hydrochloride (PubChem CID 119656504) has the molecular formula C18H27ClN2O3 and a molecular weight of 354.88 g/mol. Its IUPAC name is N-(3-amino-2,2-dimethylpropyl)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-methylcyclopropane-1-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-(3-amino-2,2-dimethylpropyl)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-methylcyclopropane-1-carboxamide;hydrochloride
PubChem CID119656504
Molecular FormulaC18H27ClN2O3
Molecular Weight354.88 g/mol
Exact Mass354.17
IUPAC NameN-(3-amino-2,2-dimethylpropyl)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-methylcyclopropane-1-carboxamide;hydrochloride
SMILESCN(CC(C)(C)CN)C(=O)C1CC1c1ccc2c(c1)OCCO2.Cl
InChIInChI=1S/C18H26N2O3.ClH/c1-18(2,10-19)11-20(3)17(21)14-9-13(14)12-4-5-15-16(8-12)23-7-6-22-15;/h4-5,8,13-14H,6-7,9-11,19H2,1-3H3;1H
InChIKeyUGIRUJDWTGGXHD-UHFFFAOYSA-N
XLogP2.43
TPSA64.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.88
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-(3-amino-2,2-dimethylpropyl)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-methylcyclopropane-1-carboxamide;hydrochloride with MolForge

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Related Compounds

2-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-(1-hydroxy-3,3-dimethylbutan-2-yl)-N-methylcyclopropane-1-carboxamide
CID 75434006
2-(2,3-dihydro-1,4-benzodioxin-6-yl)cyclopropane-1-carboxylic acid
CID 43810303
cis-(1S,2R)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)cyclopropane-1-carboxylic acid
CID 39244283
N-(3-amino-2,2-dimethylpropyl)-2-(2,5-difluorophenyl)-N-methylcyclopropane-1-carboxamide
CID 119654154
2-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-methyl-N-[1-(trifluoromethyl)cyclopropyl]cyclopropane-1-carboxamide
CID 136560222
N-(3-amino-2,2-dimethylpropyl)-2-(2-chloro-6-fluorophenyl)-N-methylcyclopropane-1-carboxamide
CID 119656481
N-(3-amino-2,2-dimethylpropyl)-N-methyl-2-phenyloxane-3-carboxamide
CID 119653593
N-(3-amino-2,2-dimethylpropyl)-2-(1,3-benzodioxol-5-yl)-N-methylacetamide
CID 119654330
N-(3-amino-2,2-dimethylpropyl)-N-methyl-2,3-dihydro-1,4-benzodioxine-6-sulfonamide;hydrochloride
CID 119991645
[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)cyclopropyl]methanone
CID 120805419
trans-[3-(dimethylamino)phenyl]methyl (1S,2S)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)cyclopropane-1-carboxylate
CID 99811398
N-(3-amino-2,2-dimethylpropyl)-N-methyl-2,3-dihydro-1,4-benzodioxine-6-sulfonamide
CID 79645778

Frequently Asked Questions

What is the IUPAC name of N-(3-amino-2,2-dimethylpropyl)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-methylcyclopropane-1-carboxamide;hydrochloride?
The IUPAC name of N-(3-amino-2,2-dimethylpropyl)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-methylcyclopropane-1-carboxamide;hydrochloride (CID 119656504) is N-(3-amino-2,2-dimethylpropyl)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-methylcyclopropane-1-carboxamide;hydrochloride.
What is the SMILES notation for N-(3-amino-2,2-dimethylpropyl)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-methylcyclopropane-1-carboxamide;hydrochloride?
The canonical SMILES for N-(3-amino-2,2-dimethylpropyl)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-methylcyclopropane-1-carboxamide;hydrochloride is CN(CC(C)(C)CN)C(=O)C1CC1c1ccc2c(c1)OCCO2.Cl.
What is the InChIKey of N-(3-amino-2,2-dimethylpropyl)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-methylcyclopropane-1-carboxamide;hydrochloride?
The InChIKey is UGIRUJDWTGGXHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N2O3.ClH/c1-18(2,10-19)11-20(3)17(21)14-9-13(14)12-4-5-15-16(8-12)23-7-6-22-15;/h4-5,8,13-14H,6-7,9-11,19H2,1-3H3;1H.
What are the key properties of N-(3-amino-2,2-dimethylpropyl)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-methylcyclopropane-1-carboxamide;hydrochloride?
N-(3-amino-2,2-dimethylpropyl)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-methylcyclopropane-1-carboxamide;hydrochloride has a molecular weight of 354.88 g/mol, XLogP of 2.43, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-amino-2,2-dimethylpropyl)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-methylcyclopropane-1-carboxamide;hydrochloride is sourced from PubChem (CID 119656504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).