N-(1-aminopropan-2-yl)-N-methyl-3-(4-propan-2-ylphenoxy)propanamide;hydrochloride

C16H27ClN2O2 — CID 119582078

IUPACN-(1-aminopropan-2-yl)-N-methyl-3-(4-propan-2-ylphenoxy)propanamide;hydrochloride
SMILESCC(C)c1ccc(OCCC(=O)N(C)C(C)CN)cc1.Cl
InChIInChI=1S/C16H26N2O2.ClH/c1-12(2)14-5-7-15(8-6-14)20-10-9-16(19)18(4)13(3)11-17;/h5-8,12-13H,9-11,17H2,1-4H3;1H
InChIKeyJWCKDANKBLYSRJ-UHFFFAOYSA-N
MW314.86 g/mol
LogP2.81
Rot. Bonds7

About N-(1-aminopropan-2-yl)-N-methyl-3-(4-propan-2-ylphenoxy)propanamide;hydrochloride

N-(1-aminopropan-2-yl)-N-methyl-3-(4-propan-2-ylphenoxy)propanamide;hydrochloride (PubChem CID 119582078) has the molecular formula C16H27ClN2O2 and a molecular weight of 314.86 g/mol. Its IUPAC name is N-(1-aminopropan-2-yl)-N-methyl-3-(4-propan-2-ylphenoxy)propanamide;hydrochloride.

Molecular Properties

Compound NameN-(1-aminopropan-2-yl)-N-methyl-3-(4-propan-2-ylphenoxy)propanamide;hydrochloride
PubChem CID119582078
Molecular FormulaC16H27ClN2O2
Molecular Weight314.86 g/mol
Exact Mass314.18
IUPAC NameN-(1-aminopropan-2-yl)-N-methyl-3-(4-propan-2-ylphenoxy)propanamide;hydrochloride
SMILESCC(C)c1ccc(OCCC(=O)N(C)C(C)CN)cc1.Cl
InChIInChI=1S/C16H26N2O2.ClH/c1-12(2)14-5-7-15(8-6-14)20-10-9-16(19)18(4)13(3)11-17;/h5-8,12-13H,9-11,17H2,1-4H3;1H
InChIKeyJWCKDANKBLYSRJ-UHFFFAOYSA-N
XLogP2.81
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.86
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(1-aminopropan-2-yl)-3-(3,4-dimethylphenoxy)-N-methylpropanamide;hydrochloride
CID 119585043
N-methyl-3-(4-propan-2-ylphenoxy)propanehydrazide
CID 116820440
2-[methyl-[3-(4-propan-2-ylphenoxy)propanoyl]amino]propanoic acid
CID 119208995
N-(1-aminopropan-2-yl)-4-(4-fluorophenoxy)-N-methylbutanamide
CID 119582440
N-(1-aminopropan-2-yl)-N-methyl-4-phenoxybutanamide
CID 119581308
N-(1-aminopropan-2-yl)-N-methyl-3-(4-propan-2-ylphenyl)propanamide
CID 119585107
N-(1-aminopropan-2-yl)-3-(3-bromophenoxy)-N-methylpropanamide
CID 119582539
3-(4-propan-2-ylphenoxy)propanoic acid
CID 16777434
N-(1-aminopropan-2-yl)-3-(4-propan-2-ylphenoxy)propanamide
CID 110834337
N-(3-amino-3-sulfanylidenepropyl)-N-methyl-3-(4-propan-2-ylphenoxy)propanamide
CID 43291261
3-(4-aminophenoxy)-N-methyl-N-(3-methylbutan-2-yl)propanamide
CID 61093094
N-(1-hydroxypropan-2-yl)-N-methyl-3-(4-methylphenoxy)propanamide
CID 112548211

Frequently Asked Questions

What is the IUPAC name of N-(1-aminopropan-2-yl)-N-methyl-3-(4-propan-2-ylphenoxy)propanamide;hydrochloride?
The IUPAC name of N-(1-aminopropan-2-yl)-N-methyl-3-(4-propan-2-ylphenoxy)propanamide;hydrochloride (CID 119582078) is N-(1-aminopropan-2-yl)-N-methyl-3-(4-propan-2-ylphenoxy)propanamide;hydrochloride.
What is the SMILES notation for N-(1-aminopropan-2-yl)-N-methyl-3-(4-propan-2-ylphenoxy)propanamide;hydrochloride?
The canonical SMILES for N-(1-aminopropan-2-yl)-N-methyl-3-(4-propan-2-ylphenoxy)propanamide;hydrochloride is CC(C)c1ccc(OCCC(=O)N(C)C(C)CN)cc1.Cl.
What is the InChIKey of N-(1-aminopropan-2-yl)-N-methyl-3-(4-propan-2-ylphenoxy)propanamide;hydrochloride?
The InChIKey is JWCKDANKBLYSRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O2.ClH/c1-12(2)14-5-7-15(8-6-14)20-10-9-16(19)18(4)13(3)11-17;/h5-8,12-13H,9-11,17H2,1-4H3;1H.
What are the key properties of N-(1-aminopropan-2-yl)-N-methyl-3-(4-propan-2-ylphenoxy)propanamide;hydrochloride?
N-(1-aminopropan-2-yl)-N-methyl-3-(4-propan-2-ylphenoxy)propanamide;hydrochloride has a molecular weight of 314.86 g/mol, XLogP of 2.81, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-aminopropan-2-yl)-N-methyl-3-(4-propan-2-ylphenoxy)propanamide;hydrochloride is sourced from PubChem (CID 119582078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).