N-(3-amino-2-methylpropyl)-3-phenoxypropanamide;hydrochloride

C13H21ClN2O2 — CID 119996875

IUPACN-(3-amino-2-methylpropyl)-3-phenoxypropanamide;hydrochloride
SMILESCC(CN)CNC(=O)CCOc1ccccc1.Cl
InChIInChI=1S/C13H20N2O2.ClH/c1-11(9-14)10-15-13(16)7-8-17-12-5-3-2-4-6-12;/h2-6,11H,7-10,14H2,1H3,(H,15,16);1H
InChIKeyYBDLLRCCIDDEMB-UHFFFAOYSA-N
MW272.78 g/mol
LogP1.59
Rot. Bonds7

About N-(3-amino-2-methylpropyl)-3-phenoxypropanamide;hydrochloride

N-(3-amino-2-methylpropyl)-3-phenoxypropanamide;hydrochloride (PubChem CID 119996875) has the molecular formula C13H21ClN2O2 and a molecular weight of 272.78 g/mol. Its IUPAC name is N-(3-amino-2-methylpropyl)-3-phenoxypropanamide;hydrochloride.

Molecular Properties

Compound NameN-(3-amino-2-methylpropyl)-3-phenoxypropanamide;hydrochloride
PubChem CID119996875
Molecular FormulaC13H21ClN2O2
Molecular Weight272.78 g/mol
Exact Mass272.13
IUPAC NameN-(3-amino-2-methylpropyl)-3-phenoxypropanamide;hydrochloride
SMILESCC(CN)CNC(=O)CCOc1ccccc1.Cl
InChIInChI=1S/C13H20N2O2.ClH/c1-11(9-14)10-15-13(16)7-8-17-12-5-3-2-4-6-12;/h2-6,11H,7-10,14H2,1H3,(H,15,16);1H
InChIKeyYBDLLRCCIDDEMB-UHFFFAOYSA-N
XLogP1.59
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.78
LogP ≤ 51.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-amino-2-methylpropyl)-3-(4-fluorophenoxy)propanamide
CID 119995301
N-(3-amino-2-methylpropyl)-3-(4-methylsulfonylphenoxy)propanamide;hydrochloride
CID 119997074
N-(2-aminopropyl)-4-phenoxybutanamide
CID 82354182
N-(2-chloro-4-methylpentyl)-3-phenoxypropanamide
CID 107157346
N-[(2S)-2-hydroxypropyl]-4-phenoxybutanamide
CID 83030039
N-(3-amino-2-methylpropyl)-1-(3-phenoxypropanoyl)piperidine-4-carboxamide
CID 119995540
3-methyl-N-[2-(3-phenoxypropanoylamino)ethyl]butanamide
CID 108538519
2-methyl-3-(4-phenoxybutanoylamino)propanoic acid
CID 62676928
N-(3-amino-2-methylpropyl)-3-[(2-phenylacetyl)amino]propanamide
CID 119996452
N-[2-(methylamino)propyl]-4-phenoxybutanamide
CID 120827212
N-(5-hydroxy-4-methylpentyl)-3-phenoxypropanamide
CID 103862190
3-(4-aminophenoxy)-N-(4-hydroxy-2-methylbutyl)propanamide
CID 66089630

Frequently Asked Questions

What is the IUPAC name of N-(3-amino-2-methylpropyl)-3-phenoxypropanamide;hydrochloride?
The IUPAC name of N-(3-amino-2-methylpropyl)-3-phenoxypropanamide;hydrochloride (CID 119996875) is N-(3-amino-2-methylpropyl)-3-phenoxypropanamide;hydrochloride.
What is the SMILES notation for N-(3-amino-2-methylpropyl)-3-phenoxypropanamide;hydrochloride?
The canonical SMILES for N-(3-amino-2-methylpropyl)-3-phenoxypropanamide;hydrochloride is CC(CN)CNC(=O)CCOc1ccccc1.Cl.
What is the InChIKey of N-(3-amino-2-methylpropyl)-3-phenoxypropanamide;hydrochloride?
The InChIKey is YBDLLRCCIDDEMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O2.ClH/c1-11(9-14)10-15-13(16)7-8-17-12-5-3-2-4-6-12;/h2-6,11H,7-10,14H2,1H3,(H,15,16);1H.
What are the key properties of N-(3-amino-2-methylpropyl)-3-phenoxypropanamide;hydrochloride?
N-(3-amino-2-methylpropyl)-3-phenoxypropanamide;hydrochloride has a molecular weight of 272.78 g/mol, XLogP of 1.59, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-amino-2-methylpropyl)-3-phenoxypropanamide;hydrochloride is sourced from PubChem (CID 119996875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).