N-(1-amino-2,3-dimethylbutan-2-yl)-2-(4-chloro-2-methylphenoxy)acetamide;hydrochloride

C15H24Cl2N2O2 — CID 119605461

IUPACN-(1-amino-2,3-dimethylbutan-2-yl)-2-(4-chloro-2-methylphenoxy)acetamide;hydrochloride
SMILESCc1cc(Cl)ccc1OCC(=O)NC(C)(CN)C(C)C.Cl
InChIInChI=1S/C15H23ClN2O2.ClH/c1-10(2)15(4,9-17)18-14(19)8-20-13-6-5-12(16)7-11(13)3;/h5-7,10H,8-9,17H2,1-4H3,(H,18,19);1H
InChIKeyRASYGLJYJLIWDS-UHFFFAOYSA-N
MW335.28 g/mol
LogP2.94
Rot. Bonds6

About N-(1-amino-2,3-dimethylbutan-2-yl)-2-(4-chloro-2-methylphenoxy)acetamide;hydrochloride

N-(1-amino-2,3-dimethylbutan-2-yl)-2-(4-chloro-2-methylphenoxy)acetamide;hydrochloride (PubChem CID 119605461) has the molecular formula C15H24Cl2N2O2 and a molecular weight of 335.28 g/mol. Its IUPAC name is N-(1-amino-2,3-dimethylbutan-2-yl)-2-(4-chloro-2-methylphenoxy)acetamide;hydrochloride.

Molecular Properties

Compound NameN-(1-amino-2,3-dimethylbutan-2-yl)-2-(4-chloro-2-methylphenoxy)acetamide;hydrochloride
PubChem CID119605461
Molecular FormulaC15H24Cl2N2O2
Molecular Weight335.28 g/mol
Exact Mass334.12
IUPAC NameN-(1-amino-2,3-dimethylbutan-2-yl)-2-(4-chloro-2-methylphenoxy)acetamide;hydrochloride
SMILESCc1cc(Cl)ccc1OCC(=O)NC(C)(CN)C(C)C.Cl
InChIInChI=1S/C15H23ClN2O2.ClH/c1-10(2)15(4,9-17)18-14(19)8-20-13-6-5-12(16)7-11(13)3;/h5-7,10H,8-9,17H2,1-4H3,(H,18,19);1H
InChIKeyRASYGLJYJLIWDS-UHFFFAOYSA-N
XLogP2.94
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.28
LogP ≤ 52.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-chloro-2-methylphenoxy)-N-(4-hydroxy-2-methylbutan-2-yl)acetamide
CID 115869894
N-(1-amino-2,3-dimethylbutan-2-yl)-5-chloro-2-methylbenzamide
CID 82882950
methyl 2-[[2-(4-chloro-2-methylphenoxy)acetyl]amino]-3-methylbutanoate
CID 43404158
[2-(2-methylbutan-2-ylamino)-2-oxoethyl] 2-(4-chloro-2-methylphenoxy)acetate
CID 9230900
N-butan-2-yl-2-(4-chloro-2-methylphenoxy)acetamide
CID 3558028
[[2-(4-chloro-2-methylphenoxy)acetyl]amino] acetate
CID 154313785
2-(4-chloro-2-methylphenoxy)-N-pentan-3-ylacetamide
CID 112779196
N-(1-amino-2,3-dimethylbutan-2-yl)-2-phenoxyacetamide;hydrochloride
CID 119605895
N-(1-aminohexan-2-yl)-2-(4-chloro-2-methylphenoxy)acetamide
CID 119664820
2-[[2-(4-chloro-2-methylphenoxy)acetyl]amino]-N-propan-2-ylacetamide
CID 9299910
N-(1-amino-2,3-dimethylbutan-2-yl)-2-(2,4-dichlorophenoxy)propanamide
CID 119606020
1-(4-chloro-2-methylphenoxy)-3-methylbutan-2-one
CID 79396132

Frequently Asked Questions

What is the IUPAC name of N-(1-amino-2,3-dimethylbutan-2-yl)-2-(4-chloro-2-methylphenoxy)acetamide;hydrochloride?
The IUPAC name of N-(1-amino-2,3-dimethylbutan-2-yl)-2-(4-chloro-2-methylphenoxy)acetamide;hydrochloride (CID 119605461) is N-(1-amino-2,3-dimethylbutan-2-yl)-2-(4-chloro-2-methylphenoxy)acetamide;hydrochloride.
What is the SMILES notation for N-(1-amino-2,3-dimethylbutan-2-yl)-2-(4-chloro-2-methylphenoxy)acetamide;hydrochloride?
The canonical SMILES for N-(1-amino-2,3-dimethylbutan-2-yl)-2-(4-chloro-2-methylphenoxy)acetamide;hydrochloride is Cc1cc(Cl)ccc1OCC(=O)NC(C)(CN)C(C)C.Cl.
What is the InChIKey of N-(1-amino-2,3-dimethylbutan-2-yl)-2-(4-chloro-2-methylphenoxy)acetamide;hydrochloride?
The InChIKey is RASYGLJYJLIWDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23ClN2O2.ClH/c1-10(2)15(4,9-17)18-14(19)8-20-13-6-5-12(16)7-11(13)3;/h5-7,10H,8-9,17H2,1-4H3,(H,18,19);1H.
What are the key properties of N-(1-amino-2,3-dimethylbutan-2-yl)-2-(4-chloro-2-methylphenoxy)acetamide;hydrochloride?
N-(1-amino-2,3-dimethylbutan-2-yl)-2-(4-chloro-2-methylphenoxy)acetamide;hydrochloride has a molecular weight of 335.28 g/mol, XLogP of 2.94, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-amino-2,3-dimethylbutan-2-yl)-2-(4-chloro-2-methylphenoxy)acetamide;hydrochloride is sourced from PubChem (CID 119605461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).