N-[2-(4-methoxyphenyl)-2-methylpropyl]-2-methyl-3-(methylamino)propanamide;hydrochloride

C16H27ClN2O2 — CID 119758276

IUPACN-[2-(4-methoxyphenyl)-2-methylpropyl]-2-methyl-3-(methylamino)propanamide;hydrochloride
SMILESCNCC(C)C(=O)NCC(C)(C)c1ccc(OC)cc1.Cl
InChIInChI=1S/C16H26N2O2.ClH/c1-12(10-17-4)15(19)18-11-16(2,3)13-6-8-14(20-5)9-7-13;/h6-9,12,17H,10-11H2,1-5H3,(H,18,19);1H
InChIKeyPOLYUTQXSUOYJK-UHFFFAOYSA-N
MW314.86 g/mol
LogP2.37
Rot. Bonds7

About N-[2-(4-methoxyphenyl)-2-methylpropyl]-2-methyl-3-(methylamino)propanamide;hydrochloride

N-[2-(4-methoxyphenyl)-2-methylpropyl]-2-methyl-3-(methylamino)propanamide;hydrochloride (PubChem CID 119758276) has the molecular formula C16H27ClN2O2 and a molecular weight of 314.86 g/mol. Its IUPAC name is N-[2-(4-methoxyphenyl)-2-methylpropyl]-2-methyl-3-(methylamino)propanamide;hydrochloride.

Molecular Properties

Compound NameN-[2-(4-methoxyphenyl)-2-methylpropyl]-2-methyl-3-(methylamino)propanamide;hydrochloride
PubChem CID119758276
Molecular FormulaC16H27ClN2O2
Molecular Weight314.86 g/mol
Exact Mass314.18
IUPAC NameN-[2-(4-methoxyphenyl)-2-methylpropyl]-2-methyl-3-(methylamino)propanamide;hydrochloride
SMILESCNCC(C)C(=O)NCC(C)(C)c1ccc(OC)cc1.Cl
InChIInChI=1S/C16H26N2O2.ClH/c1-12(10-17-4)15(19)18-11-16(2,3)13-6-8-14(20-5)9-7-13;/h6-9,12,17H,10-11H2,1-5H3,(H,18,19);1H
InChIKeyPOLYUTQXSUOYJK-UHFFFAOYSA-N
XLogP2.37
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.86
LogP ≤ 52.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(4-chlorophenyl)-2-methylpropyl]-2-methyl-3-(methylamino)propanamide
CID 119738068
2-amino-N-[2-(4-methoxyphenyl)-2-methylpropyl]-3-methylpentanamide
CID 119758287
N-[3-(4-methoxyphenyl)butyl]-2-methyl-3-(methylamino)propanamide;hydrochloride
CID 119799837
2-methyl-3-(methylamino)-N-[2-methyl-2-[3-(trifluoromethyl)phenyl]propyl]propanamide;hydrochloride
CID 119771425
N-[2-(4-methoxyphenyl)-2-methylpropyl]-4-(trifluoromethyl)benzamide
CID 113090468
N-[2-(3-chlorophenyl)-2-methylpropyl]-2-methyl-3-(methylamino)propanamide;hydrochloride
CID 119756947
N-[2-(1,3-benzodioxol-5-yl)-2-methylpropyl]-2-methyl-3-(methylamino)propanamide;hydrochloride
CID 119760041
3-hydroxy-N-[2-(4-methoxyphenyl)-2-methylpropyl]propanamide
CID 115139502
2-amino-N-[2-(4-methoxyphenyl)-2-methylpropyl]-2-(oxan-4-yl)acetamide;hydrochloride
CID 120790613
N-[2-(4-methoxyphenyl)-2-methylpropyl]pentanamide
CID 113090425
1-[2-(4-methoxyphenyl)-2-methylpropyl]-2-methyl-3-(2-methylpropyl)guanidine;hydroiodide
CID 111180040
3-amino-N-[2-(4-methoxyphenyl)-2-methylpropyl]-3-phenylpropanamide;hydrochloride
CID 119950814

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-methoxyphenyl)-2-methylpropyl]-2-methyl-3-(methylamino)propanamide;hydrochloride?
The IUPAC name of N-[2-(4-methoxyphenyl)-2-methylpropyl]-2-methyl-3-(methylamino)propanamide;hydrochloride (CID 119758276) is N-[2-(4-methoxyphenyl)-2-methylpropyl]-2-methyl-3-(methylamino)propanamide;hydrochloride.
What is the SMILES notation for N-[2-(4-methoxyphenyl)-2-methylpropyl]-2-methyl-3-(methylamino)propanamide;hydrochloride?
The canonical SMILES for N-[2-(4-methoxyphenyl)-2-methylpropyl]-2-methyl-3-(methylamino)propanamide;hydrochloride is CNCC(C)C(=O)NCC(C)(C)c1ccc(OC)cc1.Cl.
What is the InChIKey of N-[2-(4-methoxyphenyl)-2-methylpropyl]-2-methyl-3-(methylamino)propanamide;hydrochloride?
The InChIKey is POLYUTQXSUOYJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O2.ClH/c1-12(10-17-4)15(19)18-11-16(2,3)13-6-8-14(20-5)9-7-13;/h6-9,12,17H,10-11H2,1-5H3,(H,18,19);1H.
What are the key properties of N-[2-(4-methoxyphenyl)-2-methylpropyl]-2-methyl-3-(methylamino)propanamide;hydrochloride?
N-[2-(4-methoxyphenyl)-2-methylpropyl]-2-methyl-3-(methylamino)propanamide;hydrochloride has a molecular weight of 314.86 g/mol, XLogP of 2.37, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-methoxyphenyl)-2-methylpropyl]-2-methyl-3-(methylamino)propanamide;hydrochloride is sourced from PubChem (CID 119758276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).