N-(2-amino-2-methylpropyl)-2-(2-chloro-4-phenylphenoxy)acetamide;hydrochloride

C18H22Cl2N2O2 — CID 119627165

IUPACN-(2-amino-2-methylpropyl)-2-(2-chloro-4-phenylphenoxy)acetamide;hydrochloride
SMILESCC(C)(N)CNC(=O)COc1ccc(-c2ccccc2)cc1Cl.Cl
InChIInChI=1S/C18H21ClN2O2.ClH/c1-18(2,20)12-21-17(22)11-23-16-9-8-14(10-15(16)19)13-6-4-3-5-7-13;/h3-10H,11-12,20H2,1-2H3,(H,21,22);1H
InChIKeyAESGAHJMGSRBQE-UHFFFAOYSA-N
MW369.29 g/mol
LogP3.66
Rot. Bonds6

About N-(2-amino-2-methylpropyl)-2-(2-chloro-4-phenylphenoxy)acetamide;hydrochloride

N-(2-amino-2-methylpropyl)-2-(2-chloro-4-phenylphenoxy)acetamide;hydrochloride (PubChem CID 119627165) has the molecular formula C18H22Cl2N2O2 and a molecular weight of 369.29 g/mol. Its IUPAC name is N-(2-amino-2-methylpropyl)-2-(2-chloro-4-phenylphenoxy)acetamide;hydrochloride.

Molecular Properties

Compound NameN-(2-amino-2-methylpropyl)-2-(2-chloro-4-phenylphenoxy)acetamide;hydrochloride
PubChem CID119627165
Molecular FormulaC18H22Cl2N2O2
Molecular Weight369.29 g/mol
Exact Mass368.11
IUPAC NameN-(2-amino-2-methylpropyl)-2-(2-chloro-4-phenylphenoxy)acetamide;hydrochloride
SMILESCC(C)(N)CNC(=O)COc1ccc(-c2ccccc2)cc1Cl.Cl
InChIInChI=1S/C18H21ClN2O2.ClH/c1-18(2,20)12-21-17(22)11-23-16-9-8-14(10-15(16)19)13-6-4-3-5-7-13;/h3-10H,11-12,20H2,1-2H3,(H,21,22);1H
InChIKeyAESGAHJMGSRBQE-UHFFFAOYSA-N
XLogP3.66
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.29
LogP ≤ 53.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2-chloro-4-phenylphenoxy)-N-methylacetamide
CID 17466417
2-(2-chloro-4-phenylphenoxy)-N-(cyclohexylmethyl)acetamide
CID 7653172
ethyl 2-[[2-(2-chloro-4-phenylphenoxy)acetyl]amino]benzoate
CID 7653195
[2-(methylcarbamoylamino)-2-oxoethyl] 2-(2-chloro-4-phenylphenoxy)acetate
CID 8546642
2-(2-chloro-4-phenylphenoxy)-N-(1-methylpyrazol-3-yl)acetamide
CID 51238001
N-(2-amino-2-ethylbutyl)-2-(2-chlorophenoxy)acetamide
CID 119641891
N-(8-azabicyclo[3.2.1]octan-3-yl)-2-(2-chloro-4-phenylphenoxy)acetamide;hydrochloride
CID 119456429
2-(2-chloro-4-phenylphenoxy)-N-(1-pyridin-4-ylethyl)acetamide
CID 24639231
2-(2-chloro-4-phenylphenoxy)-1-piperazin-1-ylethanone;hydrochloride
CID 119401188
2-(2-chloro-4-phenylphenoxy)-N-(2-pyrrolidin-3-ylethyl)acetamide
CID 119534791
2-(2-chloro-4-phenylphenoxy)-N-(3-cyanothiophen-2-yl)acetamide
CID 18224963
2-(2-chloro-4-phenylphenoxy)-1-(2,4,5-trimethylphenyl)ethanone
CID 7652853

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-2-methylpropyl)-2-(2-chloro-4-phenylphenoxy)acetamide;hydrochloride?
The IUPAC name of N-(2-amino-2-methylpropyl)-2-(2-chloro-4-phenylphenoxy)acetamide;hydrochloride (CID 119627165) is N-(2-amino-2-methylpropyl)-2-(2-chloro-4-phenylphenoxy)acetamide;hydrochloride.
What is the SMILES notation for N-(2-amino-2-methylpropyl)-2-(2-chloro-4-phenylphenoxy)acetamide;hydrochloride?
The canonical SMILES for N-(2-amino-2-methylpropyl)-2-(2-chloro-4-phenylphenoxy)acetamide;hydrochloride is CC(C)(N)CNC(=O)COc1ccc(-c2ccccc2)cc1Cl.Cl.
What is the InChIKey of N-(2-amino-2-methylpropyl)-2-(2-chloro-4-phenylphenoxy)acetamide;hydrochloride?
The InChIKey is AESGAHJMGSRBQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21ClN2O2.ClH/c1-18(2,20)12-21-17(22)11-23-16-9-8-14(10-15(16)19)13-6-4-3-5-7-13;/h3-10H,11-12,20H2,1-2H3,(H,21,22);1H.
What are the key properties of N-(2-amino-2-methylpropyl)-2-(2-chloro-4-phenylphenoxy)acetamide;hydrochloride?
N-(2-amino-2-methylpropyl)-2-(2-chloro-4-phenylphenoxy)acetamide;hydrochloride has a molecular weight of 369.29 g/mol, XLogP of 3.66, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-2-methylpropyl)-2-(2-chloro-4-phenylphenoxy)acetamide;hydrochloride is sourced from PubChem (CID 119627165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).