N-[1-(2,6-dimethylphenoxy)propan-2-yl]-2-(methylamino)acetamide;hydrochloride

C14H23ClN2O2 — CID 119745978

IUPACN-[1-(2,6-dimethylphenoxy)propan-2-yl]-2-(methylamino)acetamide;hydrochloride
SMILESCNCC(=O)NC(C)COc1c(C)cccc1C.Cl
InChIInChI=1S/C14H22N2O2.ClH/c1-10-6-5-7-11(2)14(10)18-9-12(3)16-13(17)8-15-4;/h5-7,12,15H,8-9H2,1-4H3,(H,16,17);1H
InChIKeyWICRHOXYFRXVDW-UHFFFAOYSA-N
MW286.80 g/mol
LogP1.83
Rot. Bonds6

About N-[1-(2,6-dimethylphenoxy)propan-2-yl]-2-(methylamino)acetamide;hydrochloride

N-[1-(2,6-dimethylphenoxy)propan-2-yl]-2-(methylamino)acetamide;hydrochloride (PubChem CID 119745978) has the molecular formula C14H23ClN2O2 and a molecular weight of 286.80 g/mol. Its IUPAC name is N-[1-(2,6-dimethylphenoxy)propan-2-yl]-2-(methylamino)acetamide;hydrochloride.

Molecular Properties

Compound NameN-[1-(2,6-dimethylphenoxy)propan-2-yl]-2-(methylamino)acetamide;hydrochloride
PubChem CID119745978
Molecular FormulaC14H23ClN2O2
Molecular Weight286.80 g/mol
Exact Mass286.14
IUPAC NameN-[1-(2,6-dimethylphenoxy)propan-2-yl]-2-(methylamino)acetamide;hydrochloride
SMILESCNCC(=O)NC(C)COc1c(C)cccc1C.Cl
InChIInChI=1S/C14H22N2O2.ClH/c1-10-6-5-7-11(2)14(10)18-9-12(3)16-13(17)8-15-4;/h5-7,12,15H,8-9H2,1-4H3,(H,16,17);1H
InChIKeyWICRHOXYFRXVDW-UHFFFAOYSA-N
XLogP1.83
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.80
LogP ≤ 51.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(cyclopropylmethylamino)-N-[1-(2,6-dimethylphenoxy)propan-2-yl]acetamide;hydrochloride
CID 119745985
N-[1-(2,6-dimethylphenoxy)propan-2-yl]benzamide;hydrochloride
CID 164614215
2-(diaminomethylideneamino)-N-[1-(2,6-dimethylphenoxy)propan-2-yl]acetamide
CID 57406196
N-[1-(2,6-dimethylphenoxy)propan-2-yl]benzamide
CID 139460648
3-[bis(2-hydroxyethyl)amino]-N-[(2R)-1-(2,6-dimethylphenoxy)propan-2-yl]propanamide
CID 102200968
[2-[1-(2,6-dimethylphenoxy)propan-2-ylamino]-2-oxoethyl] N,N-dimethylcarbamodithioate
CID 3867912
1-(2-chloro-6-methylphenoxy)propan-2-ylcarbamic acid
CID 54136497
2-[2-[[(2S)-1-(2,6-dimethylphenoxy)propan-2-yl]carbamoyl]anilino]acetic acid
CID 95122811
1-benzyl-3-[1-(2,6-dimethylphenoxy)propan-2-yl]urea
CID 3391401
3-amino-N-[1-(2,6-dimethylphenoxy)propan-2-yl]cyclohexane-1-carboxamide;hydrochloride
CID 119745976
N-[1-(2,6-dimethylphenoxy)propan-2-yl]-3-(4-methyl-1,3-thiazol-5-yl)propanamide
CID 70740526
1-[1-(2,6-dimethylphenoxy)propan-2-yl]-3-(4-propan-2-ylphenyl)urea
CID 3871734

Frequently Asked Questions

What is the IUPAC name of N-[1-(2,6-dimethylphenoxy)propan-2-yl]-2-(methylamino)acetamide;hydrochloride?
The IUPAC name of N-[1-(2,6-dimethylphenoxy)propan-2-yl]-2-(methylamino)acetamide;hydrochloride (CID 119745978) is N-[1-(2,6-dimethylphenoxy)propan-2-yl]-2-(methylamino)acetamide;hydrochloride.
What is the SMILES notation for N-[1-(2,6-dimethylphenoxy)propan-2-yl]-2-(methylamino)acetamide;hydrochloride?
The canonical SMILES for N-[1-(2,6-dimethylphenoxy)propan-2-yl]-2-(methylamino)acetamide;hydrochloride is CNCC(=O)NC(C)COc1c(C)cccc1C.Cl.
What is the InChIKey of N-[1-(2,6-dimethylphenoxy)propan-2-yl]-2-(methylamino)acetamide;hydrochloride?
The InChIKey is WICRHOXYFRXVDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O2.ClH/c1-10-6-5-7-11(2)14(10)18-9-12(3)16-13(17)8-15-4;/h5-7,12,15H,8-9H2,1-4H3,(H,16,17);1H.
What are the key properties of N-[1-(2,6-dimethylphenoxy)propan-2-yl]-2-(methylamino)acetamide;hydrochloride?
N-[1-(2,6-dimethylphenoxy)propan-2-yl]-2-(methylamino)acetamide;hydrochloride has a molecular weight of 286.80 g/mol, XLogP of 1.83, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2,6-dimethylphenoxy)propan-2-yl]-2-(methylamino)acetamide;hydrochloride is sourced from PubChem (CID 119745978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).