N-(2-amino-2-methylpropyl)-2-(3-propan-2-ylphenoxy)propanamide;hydrochloride

C16H27ClN2O2 — CID 119626548

IUPACN-(2-amino-2-methylpropyl)-2-(3-propan-2-ylphenoxy)propanamide;hydrochloride
SMILESCC(Oc1cccc(C(C)C)c1)C(=O)NCC(C)(C)N.Cl
InChIInChI=1S/C16H26N2O2.ClH/c1-11(2)13-7-6-8-14(9-13)20-12(3)15(19)18-10-16(4,5)17;/h6-9,11-12H,10,17H2,1-5H3,(H,18,19);1H
InChIKeyLHWNGHGXRYVSRT-UHFFFAOYSA-N
MW314.86 g/mol
LogP2.85
Rot. Bonds6

About N-(2-amino-2-methylpropyl)-2-(3-propan-2-ylphenoxy)propanamide;hydrochloride

N-(2-amino-2-methylpropyl)-2-(3-propan-2-ylphenoxy)propanamide;hydrochloride (PubChem CID 119626548) has the molecular formula C16H27ClN2O2 and a molecular weight of 314.86 g/mol. Its IUPAC name is N-(2-amino-2-methylpropyl)-2-(3-propan-2-ylphenoxy)propanamide;hydrochloride.

Molecular Properties

Compound NameN-(2-amino-2-methylpropyl)-2-(3-propan-2-ylphenoxy)propanamide;hydrochloride
PubChem CID119626548
Molecular FormulaC16H27ClN2O2
Molecular Weight314.86 g/mol
Exact Mass314.18
IUPAC NameN-(2-amino-2-methylpropyl)-2-(3-propan-2-ylphenoxy)propanamide;hydrochloride
SMILESCC(Oc1cccc(C(C)C)c1)C(=O)NCC(C)(C)N.Cl
InChIInChI=1S/C16H26N2O2.ClH/c1-11(2)13-7-6-8-14(9-13)20-12(3)15(19)18-10-16(4,5)17;/h6-9,11-12H,10,17H2,1-5H3,(H,18,19);1H
InChIKeyLHWNGHGXRYVSRT-UHFFFAOYSA-N
XLogP2.85
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.86
LogP ≤ 52.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-amino-2-methylpropyl)-2-phenoxypropanamide;hydrochloride
CID 119630231
N-(2-amino-2-methylpropyl)-2-(3-methylphenoxy)propanamide
CID 119625770
N-(2-amino-2-methylpropyl)-2-(3-chlorophenoxy)propanamide
CID 81483033
N-(1-amino-2,3-dimethylbutan-2-yl)-2-(3-propan-2-ylphenoxy)propanamide;hydrochloride
CID 119606053
N-(2-amino-2-phenylethyl)-2-(3-propan-2-ylphenoxy)propanamide
CID 119527740
N-(1-amino-2-cyclopropylpropan-2-yl)-2-(3-propan-2-ylphenoxy)propanamide;hydrochloride
CID 119572860
N-[(4-hydroxypyrrolidin-3-yl)methyl]-2-(3-propan-2-ylphenoxy)propanamide;hydrochloride
CID 120945285
N-butan-2-yl-2-(3-propan-2-ylphenoxy)propanamide
CID 134037762
N-(1-amino-2-cyclopropylpropan-2-yl)-2-(3-propan-2-ylphenoxy)propanamide
CID 119572861
N-(4-aminophenyl)-2-(3-propan-2-ylphenoxy)propanamide
CID 16794467
N-(3-amino-2,2-dimethylpropyl)-N-methyl-2-(3-propan-2-ylphenoxy)propanamide;hydrochloride
CID 119653170
methyl 2-methyl-2-[2-(3-propan-2-ylphenoxy)propanoylamino]pentanoate
CID 55793330

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-2-methylpropyl)-2-(3-propan-2-ylphenoxy)propanamide;hydrochloride?
The IUPAC name of N-(2-amino-2-methylpropyl)-2-(3-propan-2-ylphenoxy)propanamide;hydrochloride (CID 119626548) is N-(2-amino-2-methylpropyl)-2-(3-propan-2-ylphenoxy)propanamide;hydrochloride.
What is the SMILES notation for N-(2-amino-2-methylpropyl)-2-(3-propan-2-ylphenoxy)propanamide;hydrochloride?
The canonical SMILES for N-(2-amino-2-methylpropyl)-2-(3-propan-2-ylphenoxy)propanamide;hydrochloride is CC(Oc1cccc(C(C)C)c1)C(=O)NCC(C)(C)N.Cl.
What is the InChIKey of N-(2-amino-2-methylpropyl)-2-(3-propan-2-ylphenoxy)propanamide;hydrochloride?
The InChIKey is LHWNGHGXRYVSRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O2.ClH/c1-11(2)13-7-6-8-14(9-13)20-12(3)15(19)18-10-16(4,5)17;/h6-9,11-12H,10,17H2,1-5H3,(H,18,19);1H.
What are the key properties of N-(2-amino-2-methylpropyl)-2-(3-propan-2-ylphenoxy)propanamide;hydrochloride?
N-(2-amino-2-methylpropyl)-2-(3-propan-2-ylphenoxy)propanamide;hydrochloride has a molecular weight of 314.86 g/mol, XLogP of 2.85, 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-(3-propan-2-ylphenoxy)propanamide;hydrochloride is sourced from PubChem (CID 119626548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).