N-[2-(1,3-benzodioxol-5-yl)-2-methylpropyl]-2-methyl-3-(methylamino)propanamide;hydrochloride

C16H25ClN2O3 — CID 119760041

IUPACN-[2-(1,3-benzodioxol-5-yl)-2-methylpropyl]-2-methyl-3-(methylamino)propanamide;hydrochloride
SMILESCNCC(C)C(=O)NCC(C)(C)c1ccc2c(c1)OCO2.Cl
InChIInChI=1S/C16H24N2O3.ClH/c1-11(8-17-4)15(19)18-9-16(2,3)12-5-6-13-14(7-12)21-10-20-13;/h5-7,11,17H,8-10H2,1-4H3,(H,18,19);1H
InChIKeyIEKLYCAZQCRCLJ-UHFFFAOYSA-N
MW328.84 g/mol
LogP2.09
Rot. Bonds6

About N-[2-(1,3-benzodioxol-5-yl)-2-methylpropyl]-2-methyl-3-(methylamino)propanamide;hydrochloride

N-[2-(1,3-benzodioxol-5-yl)-2-methylpropyl]-2-methyl-3-(methylamino)propanamide;hydrochloride (PubChem CID 119760041) has the molecular formula C16H25ClN2O3 and a molecular weight of 328.84 g/mol. Its IUPAC name is N-[2-(1,3-benzodioxol-5-yl)-2-methylpropyl]-2-methyl-3-(methylamino)propanamide;hydrochloride.

Molecular Properties

Compound NameN-[2-(1,3-benzodioxol-5-yl)-2-methylpropyl]-2-methyl-3-(methylamino)propanamide;hydrochloride
PubChem CID119760041
Molecular FormulaC16H25ClN2O3
Molecular Weight328.84 g/mol
Exact Mass328.16
IUPAC NameN-[2-(1,3-benzodioxol-5-yl)-2-methylpropyl]-2-methyl-3-(methylamino)propanamide;hydrochloride
SMILESCNCC(C)C(=O)NCC(C)(C)c1ccc2c(c1)OCO2.Cl
InChIInChI=1S/C16H24N2O3.ClH/c1-11(8-17-4)15(19)18-9-16(2,3)12-5-6-13-14(7-12)21-10-20-13;/h5-7,11,17H,8-10H2,1-4H3,(H,18,19);1H
InChIKeyIEKLYCAZQCRCLJ-UHFFFAOYSA-N
XLogP2.09
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.84
LogP ≤ 52.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-amino-N-[2-(1,3-benzodioxol-5-yl)-2-methylpropyl]pentanamide;hydrochloride
CID 119309892
N-[2-(1,3-benzodioxol-5-yl)-2-methylpropyl]-2-(methylamino)acetamide
CID 115152169
3-amino-N-[2-(1,3-benzodioxol-5-yl)-2-methylpropyl]butanamide;hydrochloride
CID 119760047
N-[2-(1,3-benzodioxol-5-yl)-2-methylpropyl]oxirane-2-carboxamide
CID 154880133
N-(1,3-benzodioxol-5-ylmethyl)-2-methyl-3-(methylamino)propanamide
CID 79202322
4-[[2-(1,3-benzodioxol-5-yl)-2-methylpropyl]carbamoyl]benzoic acid
CID 119183117
N-[(2S)-1-[[2-(1,3-benzodioxol-5-yl)-2-methylpropyl]amino]-1-oxopropan-2-yl]furan-2-carboxamide
CID 52514259
N-[1-[[2-(1,3-benzodioxol-5-yl)-2-methylpropyl]amino]-1-oxopropan-2-yl]furan-2-carboxamide
CID 51128973
2-methyl-3-(methylamino)-N-[2-methyl-2-[3-(trifluoromethyl)phenyl]propyl]propanamide;hydrochloride
CID 119771425
(2S)-2-(benzimidazol-1-yl)-N-[2-(1,3-benzodioxol-5-yl)-2-methylpropyl]propanamide
CID 52535794
N-[2-(3-chlorophenyl)-2-methylpropyl]-2-methyl-3-(methylamino)propanamide;hydrochloride
CID 119756947
N-[2-(4-chlorophenyl)-2-methylpropyl]-2-methyl-3-(methylamino)propanamide
CID 119738068

Frequently Asked Questions

What is the IUPAC name of N-[2-(1,3-benzodioxol-5-yl)-2-methylpropyl]-2-methyl-3-(methylamino)propanamide;hydrochloride?
The IUPAC name of N-[2-(1,3-benzodioxol-5-yl)-2-methylpropyl]-2-methyl-3-(methylamino)propanamide;hydrochloride (CID 119760041) is N-[2-(1,3-benzodioxol-5-yl)-2-methylpropyl]-2-methyl-3-(methylamino)propanamide;hydrochloride.
What is the SMILES notation for N-[2-(1,3-benzodioxol-5-yl)-2-methylpropyl]-2-methyl-3-(methylamino)propanamide;hydrochloride?
The canonical SMILES for N-[2-(1,3-benzodioxol-5-yl)-2-methylpropyl]-2-methyl-3-(methylamino)propanamide;hydrochloride is CNCC(C)C(=O)NCC(C)(C)c1ccc2c(c1)OCO2.Cl.
What is the InChIKey of N-[2-(1,3-benzodioxol-5-yl)-2-methylpropyl]-2-methyl-3-(methylamino)propanamide;hydrochloride?
The InChIKey is IEKLYCAZQCRCLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O3.ClH/c1-11(8-17-4)15(19)18-9-16(2,3)12-5-6-13-14(7-12)21-10-20-13;/h5-7,11,17H,8-10H2,1-4H3,(H,18,19);1H.
What are the key properties of N-[2-(1,3-benzodioxol-5-yl)-2-methylpropyl]-2-methyl-3-(methylamino)propanamide;hydrochloride?
N-[2-(1,3-benzodioxol-5-yl)-2-methylpropyl]-2-methyl-3-(methylamino)propanamide;hydrochloride has a molecular weight of 328.84 g/mol, XLogP of 2.09, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1,3-benzodioxol-5-yl)-2-methylpropyl]-2-methyl-3-(methylamino)propanamide;hydrochloride is sourced from PubChem (CID 119760041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).