N-(2-amino-2-methylpropyl)-2-phenoxypropanamide;hydrochloride

C13H21ClN2O2 — CID 119630231

IUPACN-(2-amino-2-methylpropyl)-2-phenoxypropanamide;hydrochloride
SMILESCC(Oc1ccccc1)C(=O)NCC(C)(C)N.Cl
InChIInChI=1S/C13H20N2O2.ClH/c1-10(12(16)15-9-13(2,3)14)17-11-7-5-4-6-8-11;/h4-8,10H,9,14H2,1-3H3,(H,15,16);1H
InChIKeyLGULFMQNEFFDJE-UHFFFAOYSA-N
MW272.78 g/mol
LogP1.73
Rot. Bonds5

About N-(2-amino-2-methylpropyl)-2-phenoxypropanamide;hydrochloride

N-(2-amino-2-methylpropyl)-2-phenoxypropanamide;hydrochloride (PubChem CID 119630231) has the molecular formula C13H21ClN2O2 and a molecular weight of 272.78 g/mol. Its IUPAC name is N-(2-amino-2-methylpropyl)-2-phenoxypropanamide;hydrochloride.

Molecular Properties

Compound NameN-(2-amino-2-methylpropyl)-2-phenoxypropanamide;hydrochloride
PubChem CID119630231
Molecular FormulaC13H21ClN2O2
Molecular Weight272.78 g/mol
Exact Mass272.13
IUPAC NameN-(2-amino-2-methylpropyl)-2-phenoxypropanamide;hydrochloride
SMILESCC(Oc1ccccc1)C(=O)NCC(C)(C)N.Cl
InChIInChI=1S/C13H20N2O2.ClH/c1-10(12(16)15-9-13(2,3)14)17-11-7-5-4-6-8-11;/h4-8,10H,9,14H2,1-3H3,(H,15,16);1H
InChIKeyLGULFMQNEFFDJE-UHFFFAOYSA-N
XLogP1.73
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.78
LogP ≤ 51.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-amino-2-methylpropyl)-2-(3-propan-2-ylphenoxy)propanamide;hydrochloride
CID 119626548
N-(2-amino-2-methylpropyl)-2-(3-methylphenoxy)propanamide
CID 119625770
N-(2-amino-2-methylpropyl)-2-(3-chlorophenoxy)propanamide
CID 81483033
N-(2,3-dihydroxy-2-methylpropyl)-2-phenoxypropanamide
CID 66169775
(2R)-2-phenoxy-N-[2-[[(2R)-2-phenoxypropanoyl]amino]ethyl]propanamide
CID 7039405
N-(4-hydroxy-2,2-dimethylbutyl)-2-phenoxypropanamide
CID 103825152
N-ethyl-2-phenoxypropanamide
CID 4282518
N-(2-hydroxy-2-thiophen-2-ylpropyl)-2-phenoxypropanamide
CID 121085799
N-(2-methoxy-2-phenylbutyl)-2-phenoxypropanamide
CID 90599490
(2S)-2-phenoxy-N-[9-[[(2S)-2-phenoxypropanoyl]amino]nonyl]propanamide
CID 28839964
N-[2-(methylamino)ethyl]-2-phenoxypropanamide
CID 119503949
3-(2-phenoxypropanoylamino)propanoic acid
CID 43092387

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-2-methylpropyl)-2-phenoxypropanamide;hydrochloride?
The IUPAC name of N-(2-amino-2-methylpropyl)-2-phenoxypropanamide;hydrochloride (CID 119630231) is N-(2-amino-2-methylpropyl)-2-phenoxypropanamide;hydrochloride.
What is the SMILES notation for N-(2-amino-2-methylpropyl)-2-phenoxypropanamide;hydrochloride?
The canonical SMILES for N-(2-amino-2-methylpropyl)-2-phenoxypropanamide;hydrochloride is CC(Oc1ccccc1)C(=O)NCC(C)(C)N.Cl.
What is the InChIKey of N-(2-amino-2-methylpropyl)-2-phenoxypropanamide;hydrochloride?
The InChIKey is LGULFMQNEFFDJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O2.ClH/c1-10(12(16)15-9-13(2,3)14)17-11-7-5-4-6-8-11;/h4-8,10H,9,14H2,1-3H3,(H,15,16);1H.
What are the key properties of N-(2-amino-2-methylpropyl)-2-phenoxypropanamide;hydrochloride?
N-(2-amino-2-methylpropyl)-2-phenoxypropanamide;hydrochloride has a molecular weight of 272.78 g/mol, XLogP of 1.73, 5 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-phenoxypropanamide;hydrochloride is sourced from PubChem (CID 119630231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).