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

C14H23ClN2O2 — CID 120705474

IUPACN-[3-(4-methoxyphenyl)-2-methylpropyl]-2-(methylamino)acetamide;hydrochloride
SMILESCNCC(=O)NCC(C)Cc1ccc(OC)cc1.Cl
InChIInChI=1S/C14H22N2O2.ClH/c1-11(9-16-14(17)10-15-2)8-12-4-6-13(18-3)7-5-12;/h4-7,11,15H,8-10H2,1-3H3,(H,16,17);1H
InChIKeyYWYQOFPPXWGVMV-UHFFFAOYSA-N
MW286.80 g/mol
LogP1.63
Rot. Bonds7

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

N-[3-(4-methoxyphenyl)-2-methylpropyl]-2-(methylamino)acetamide;hydrochloride (PubChem CID 120705474) has the molecular formula C14H23ClN2O2 and a molecular weight of 286.80 g/mol. Its IUPAC name is N-[3-(4-methoxyphenyl)-2-methylpropyl]-2-(methylamino)acetamide;hydrochloride.

Molecular Properties

Compound NameN-[3-(4-methoxyphenyl)-2-methylpropyl]-2-(methylamino)acetamide;hydrochloride
PubChem CID120705474
Molecular FormulaC14H23ClN2O2
Molecular Weight286.80 g/mol
Exact Mass286.14
IUPAC NameN-[3-(4-methoxyphenyl)-2-methylpropyl]-2-(methylamino)acetamide;hydrochloride
SMILESCNCC(=O)NCC(C)Cc1ccc(OC)cc1.Cl
InChIInChI=1S/C14H22N2O2.ClH/c1-11(9-16-14(17)10-15-2)8-12-4-6-13(18-3)7-5-12;/h4-7,11,15H,8-10H2,1-3H3,(H,16,17);1H
InChIKeyYWYQOFPPXWGVMV-UHFFFAOYSA-N
XLogP1.63
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.80
LogP ≤ 51.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl 2-[[(2S)-3-(4-methoxyphenyl)-2-methylpropyl]amino]-2-oxoacetate
CID 124927682
3-[[3-(4-methoxyphenyl)-2-methylpropyl]carbamoyl-methylamino]propanoic acid
CID 122008074
N-[(2R)-3-(4-methoxyphenyl)-2-methylpropyl]-1,1-dioxo-1,4-thiazinane-4-carboxamide
CID 124571320
N-[3-(4-methoxyphenyl)-2-methylpropyl]-1,1-dioxo-1,4-thiazinane-4-carboxamide
CID 122156338
N-[1-(4-methoxyphenyl)-2-methylpropyl]-2-(methylamino)acetamide;hydrochloride
CID 119693475
5-[[3-(4-methoxyphenyl)-2-methylpropyl]carbamoyl]furan-3-carboxylic acid
CID 120551585
N-(4-hydroxy-2-methylbutyl)-3-(4-methoxyphenyl)propanamide
CID 66106188
4-[[3-(4-methoxyphenyl)-2-methylpropyl]amino]cyclohexane-1-carboxylic acid
CID 122032281
N-[bis(4-methoxyphenyl)methyl]-2-(methylamino)acetamide
CID 18197515
4-methoxy-N-[2-[2-(methylamino)propylamino]-2-oxoethyl]benzamide
CID 120829043
(2S)-2-amino-3-(4-methoxyphenyl)propanoic acid;hydrochloride
CID 24802313
1-tert-butyl-N-[(2R)-3-(4-methoxyphenyl)-2-methylpropyl]triazole-4-carboxamide
CID 124855679

Frequently Asked Questions

What is the IUPAC name of N-[3-(4-methoxyphenyl)-2-methylpropyl]-2-(methylamino)acetamide;hydrochloride?
The IUPAC name of N-[3-(4-methoxyphenyl)-2-methylpropyl]-2-(methylamino)acetamide;hydrochloride (CID 120705474) is N-[3-(4-methoxyphenyl)-2-methylpropyl]-2-(methylamino)acetamide;hydrochloride.
What is the SMILES notation for N-[3-(4-methoxyphenyl)-2-methylpropyl]-2-(methylamino)acetamide;hydrochloride?
The canonical SMILES for N-[3-(4-methoxyphenyl)-2-methylpropyl]-2-(methylamino)acetamide;hydrochloride is CNCC(=O)NCC(C)Cc1ccc(OC)cc1.Cl.
What is the InChIKey of N-[3-(4-methoxyphenyl)-2-methylpropyl]-2-(methylamino)acetamide;hydrochloride?
The InChIKey is YWYQOFPPXWGVMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O2.ClH/c1-11(9-16-14(17)10-15-2)8-12-4-6-13(18-3)7-5-12;/h4-7,11,15H,8-10H2,1-3H3,(H,16,17);1H.
What are the key properties of N-[3-(4-methoxyphenyl)-2-methylpropyl]-2-(methylamino)acetamide;hydrochloride?
N-[3-(4-methoxyphenyl)-2-methylpropyl]-2-(methylamino)acetamide;hydrochloride has a molecular weight of 286.80 g/mol, XLogP of 1.63, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(4-methoxyphenyl)-2-methylpropyl]-2-(methylamino)acetamide;hydrochloride is sourced from PubChem (CID 120705474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).