N-(1-aminopropan-2-yl)-3,4-dimethoxy-N-methylbenzamide;hydrochloride

C13H21ClN2O3 — CID 119583303

IUPACN-(1-aminopropan-2-yl)-3,4-dimethoxy-N-methylbenzamide;hydrochloride
SMILESCOc1ccc(C(=O)N(C)C(C)CN)cc1OC.Cl
InChIInChI=1S/C13H20N2O3.ClH/c1-9(8-14)15(2)13(16)10-5-6-11(17-3)12(7-10)18-4;/h5-7,9H,8,14H2,1-4H3;1H
InChIKeyXSRUZDLOVABITR-UHFFFAOYSA-N
MW288.78 g/mol
LogP1.54
Rot. Bonds5

About N-(1-aminopropan-2-yl)-3,4-dimethoxy-N-methylbenzamide;hydrochloride

N-(1-aminopropan-2-yl)-3,4-dimethoxy-N-methylbenzamide;hydrochloride (PubChem CID 119583303) has the molecular formula C13H21ClN2O3 and a molecular weight of 288.78 g/mol. Its IUPAC name is N-(1-aminopropan-2-yl)-3,4-dimethoxy-N-methylbenzamide;hydrochloride.

Molecular Properties

Compound NameN-(1-aminopropan-2-yl)-3,4-dimethoxy-N-methylbenzamide;hydrochloride
PubChem CID119583303
Molecular FormulaC13H21ClN2O3
Molecular Weight288.78 g/mol
Exact Mass288.12
IUPAC NameN-(1-aminopropan-2-yl)-3,4-dimethoxy-N-methylbenzamide;hydrochloride
SMILESCOc1ccc(C(=O)N(C)C(C)CN)cc1OC.Cl
InChIInChI=1S/C13H20N2O3.ClH/c1-9(8-14)15(2)13(16)10-5-6-11(17-3)12(7-10)18-4;/h5-7,9H,8,14H2,1-4H3;1H
InChIKeyXSRUZDLOVABITR-UHFFFAOYSA-N
XLogP1.54
TPSA64.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.78
LogP ≤ 51.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(1-aminopropan-2-yl)-3,4-dimethoxy-N-methylbenzamide
CID 112701397
N-(1-aminopropan-2-yl)-4-ethoxy-3-methoxy-N-methylbenzamide;hydrochloride
CID 119582790
N-(1-aminopropan-2-yl)-4-(difluoromethoxy)-3-methoxy-N-methylbenzamide;hydrochloride
CID 119584895
N-(1-aminopropan-2-yl)-N,3,4-trimethylbenzamide;hydrochloride
CID 119584915
N-(1-aminopropan-2-yl)-4-(dimethylamino)-N-methylbenzamide
CID 104556646
N-(1-aminopropan-2-yl)-4-(difluoromethoxy)-3,5-dimethoxy-N-methylbenzamide
CID 119585328
3-N-(1-aminopropan-2-yl)-3-N-methylbenzene-1,3-dicarboxamide
CID 119584009
N-butan-2-yl-3-methoxy-N-methyl-4-(3-methylbutoxy)benzamide
CID 75872470
N-(1-aminopropan-2-yl)-3-hydroxy-N,4-dimethylbenzamide
CID 104556594
3-amino-4-methoxy-N-(1-methoxypropan-2-yl)-N-methylbenzamide
CID 61109312
N-(1-aminopropan-2-yl)-3-fluoro-4-iodo-N-methylbenzamide;hydrochloride
CID 119584721
4-(2-amino-2-oxoethoxy)-N-(1-aminopropan-2-yl)-3-chloro-5-methoxy-N-methylbenzamide
CID 119584039

Frequently Asked Questions

What is the IUPAC name of N-(1-aminopropan-2-yl)-3,4-dimethoxy-N-methylbenzamide;hydrochloride?
The IUPAC name of N-(1-aminopropan-2-yl)-3,4-dimethoxy-N-methylbenzamide;hydrochloride (CID 119583303) is N-(1-aminopropan-2-yl)-3,4-dimethoxy-N-methylbenzamide;hydrochloride.
What is the SMILES notation for N-(1-aminopropan-2-yl)-3,4-dimethoxy-N-methylbenzamide;hydrochloride?
The canonical SMILES for N-(1-aminopropan-2-yl)-3,4-dimethoxy-N-methylbenzamide;hydrochloride is COc1ccc(C(=O)N(C)C(C)CN)cc1OC.Cl.
What is the InChIKey of N-(1-aminopropan-2-yl)-3,4-dimethoxy-N-methylbenzamide;hydrochloride?
The InChIKey is XSRUZDLOVABITR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O3.ClH/c1-9(8-14)15(2)13(16)10-5-6-11(17-3)12(7-10)18-4;/h5-7,9H,8,14H2,1-4H3;1H.
What are the key properties of N-(1-aminopropan-2-yl)-3,4-dimethoxy-N-methylbenzamide;hydrochloride?
N-(1-aminopropan-2-yl)-3,4-dimethoxy-N-methylbenzamide;hydrochloride has a molecular weight of 288.78 g/mol, XLogP of 1.54, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-aminopropan-2-yl)-3,4-dimethoxy-N-methylbenzamide;hydrochloride is sourced from PubChem (CID 119583303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).