N-(3-amino-2,2-dimethylpropyl)-N-methyl-2-(4-methylphenoxy)propanamide;hydrochloride

C16H27ClN2O2 — CID 119654882

IUPACN-(3-amino-2,2-dimethylpropyl)-N-methyl-2-(4-methylphenoxy)propanamide;hydrochloride
SMILESCc1ccc(OC(C)C(=O)N(C)CC(C)(C)CN)cc1.Cl
InChIInChI=1S/C16H26N2O2.ClH/c1-12-6-8-14(9-7-12)20-13(2)15(19)18(5)11-16(3,4)10-17;/h6-9,13H,10-11,17H2,1-5H3;1H
InChIKeyKYGXVYWPHOMRIH-UHFFFAOYSA-N
MW314.86 g/mol
LogP2.63
Rot. Bonds6

About N-(3-amino-2,2-dimethylpropyl)-N-methyl-2-(4-methylphenoxy)propanamide;hydrochloride

N-(3-amino-2,2-dimethylpropyl)-N-methyl-2-(4-methylphenoxy)propanamide;hydrochloride (PubChem CID 119654882) has the molecular formula C16H27ClN2O2 and a molecular weight of 314.86 g/mol. Its IUPAC name is N-(3-amino-2,2-dimethylpropyl)-N-methyl-2-(4-methylphenoxy)propanamide;hydrochloride.

Molecular Properties

Compound NameN-(3-amino-2,2-dimethylpropyl)-N-methyl-2-(4-methylphenoxy)propanamide;hydrochloride
PubChem CID119654882
Molecular FormulaC16H27ClN2O2
Molecular Weight314.86 g/mol
Exact Mass314.18
IUPAC NameN-(3-amino-2,2-dimethylpropyl)-N-methyl-2-(4-methylphenoxy)propanamide;hydrochloride
SMILESCc1ccc(OC(C)C(=O)N(C)CC(C)(C)CN)cc1.Cl
InChIInChI=1S/C16H26N2O2.ClH/c1-12-6-8-14(9-7-12)20-13(2)15(19)18(5)11-16(3,4)10-17;/h6-9,13H,10-11,17H2,1-5H3;1H
InChIKeyKYGXVYWPHOMRIH-UHFFFAOYSA-N
XLogP2.63
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.86
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-amino-2,2-dimethylpropyl)-2-(4-chloro-3-methylphenoxy)-N-methylpropanamide
CID 119655638
N-(3-amino-2,2-dimethylpropyl)-N-methyl-2-(3-propan-2-ylphenoxy)propanamide;hydrochloride
CID 119653170
N-(3-amino-2,2-dimethylpropyl)-2-(2-chloro-5-methylphenoxy)-N-methylpropanamide
CID 119656231
N-(3-amino-2,2-dimethylpropyl)-N-methyl-2-(3-propan-2-ylphenoxy)propanamide
CID 119653171
N-(3-amino-2,2-dimethylpropyl)-2-(2,3-dichlorophenoxy)-N-methylpropanamide;hydrochloride
CID 119656929
N-(3-amino-2,2-dimethylpropyl)-3-(4-methoxyphenyl)sulfonyl-N,2-dimethylpropanamide;hydrochloride
CID 119653460
N-(3-amino-2,2-dimethylpropyl)-2-(2,4-dichlorophenoxy)-N-methylpropanamide
CID 119653129
tert-butyl 4-[methyl-[(2S)-2-(4-methylphenoxy)propanoyl]amino]butanoate
CID 95289075
N-(3-amino-2,2-dimethylpropyl)-N,2-dimethyl-2-(4-methylphenyl)propanamide;hydrochloride
CID 119653380
N-[(4-fluorophenyl)methyl]-N-methyl-2-(4-methylphenoxy)propanamide
CID 78770345
N-(3-amino-2,2-dimethylpropyl)-N-methyl-2-phenylpropanamide
CID 114028856
N-methyl-2-phenoxy-N-(2,2,2-trifluoroethyl)propanamide
CID 78864188

Frequently Asked Questions

What is the IUPAC name of N-(3-amino-2,2-dimethylpropyl)-N-methyl-2-(4-methylphenoxy)propanamide;hydrochloride?
The IUPAC name of N-(3-amino-2,2-dimethylpropyl)-N-methyl-2-(4-methylphenoxy)propanamide;hydrochloride (CID 119654882) is N-(3-amino-2,2-dimethylpropyl)-N-methyl-2-(4-methylphenoxy)propanamide;hydrochloride.
What is the SMILES notation for N-(3-amino-2,2-dimethylpropyl)-N-methyl-2-(4-methylphenoxy)propanamide;hydrochloride?
The canonical SMILES for N-(3-amino-2,2-dimethylpropyl)-N-methyl-2-(4-methylphenoxy)propanamide;hydrochloride is Cc1ccc(OC(C)C(=O)N(C)CC(C)(C)CN)cc1.Cl.
What is the InChIKey of N-(3-amino-2,2-dimethylpropyl)-N-methyl-2-(4-methylphenoxy)propanamide;hydrochloride?
The InChIKey is KYGXVYWPHOMRIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O2.ClH/c1-12-6-8-14(9-7-12)20-13(2)15(19)18(5)11-16(3,4)10-17;/h6-9,13H,10-11,17H2,1-5H3;1H.
What are the key properties of N-(3-amino-2,2-dimethylpropyl)-N-methyl-2-(4-methylphenoxy)propanamide;hydrochloride?
N-(3-amino-2,2-dimethylpropyl)-N-methyl-2-(4-methylphenoxy)propanamide;hydrochloride has a molecular weight of 314.86 g/mol, XLogP of 2.63, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-amino-2,2-dimethylpropyl)-N-methyl-2-(4-methylphenoxy)propanamide;hydrochloride is sourced from PubChem (CID 119654882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).