2-amino-2-methyl-N-[2-(3-methylphenoxy)propyl]pentanamide;hydrochloride

C16H27ClN2O2 — CID 119804957

IUPAC2-amino-2-methyl-N-[2-(3-methylphenoxy)propyl]pentanamide;hydrochloride
SMILESCCCC(C)(N)C(=O)NCC(C)Oc1cccc(C)c1.Cl
InChIInChI=1S/C16H26N2O2.ClH/c1-5-9-16(4,17)15(19)18-11-13(3)20-14-8-6-7-12(2)10-14;/h6-8,10,13H,5,9,11,17H2,1-4H3,(H,18,19);1H
InChIKeyFZSHASLRXYVFJY-UHFFFAOYSA-N
MW314.86 g/mol
LogP2.82
Rot. Bonds7

About 2-amino-2-methyl-N-[2-(3-methylphenoxy)propyl]pentanamide;hydrochloride

2-amino-2-methyl-N-[2-(3-methylphenoxy)propyl]pentanamide;hydrochloride (PubChem CID 119804957) has the molecular formula C16H27ClN2O2 and a molecular weight of 314.86 g/mol. Its IUPAC name is 2-amino-2-methyl-N-[2-(3-methylphenoxy)propyl]pentanamide;hydrochloride.

Molecular Properties

Compound Name2-amino-2-methyl-N-[2-(3-methylphenoxy)propyl]pentanamide;hydrochloride
PubChem CID119804957
Molecular FormulaC16H27ClN2O2
Molecular Weight314.86 g/mol
Exact Mass314.18
IUPAC Name2-amino-2-methyl-N-[2-(3-methylphenoxy)propyl]pentanamide;hydrochloride
SMILESCCCC(C)(N)C(=O)NCC(C)Oc1cccc(C)c1.Cl
InChIInChI=1S/C16H26N2O2.ClH/c1-5-9-16(4,17)15(19)18-11-13(3)20-14-8-6-7-12(2)10-14;/h6-8,10,13H,5,9,11,17H2,1-4H3,(H,18,19);1H
InChIKeyFZSHASLRXYVFJY-UHFFFAOYSA-N
XLogP2.82
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.86
LogP ≤ 52.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-2-methyl-N-[2-(3-methylphenoxy)propyl]pentanamide
CID 119804958
2-amino-N-[2-(3-methoxyphenoxy)propyl]-2-methylpentanamide;hydrochloride
CID 119804565
2-amino-N-[2-hydroxy-2-(3-propan-2-yloxyphenyl)ethyl]-2-methylpentanamide
CID 119792571
2-methyl-3-(methylamino)-N-[2-(3-methylphenoxy)propyl]propanamide;hydrochloride
CID 119804933
2-amino-N-[2-hydroxy-2-(4-propan-2-yloxyphenyl)ethyl]-2-methylpentanamide;hydrochloride
CID 119792716
methyl 2-amino-2-methyl-4-(3-methylphenoxy)pentanoate
CID 64708498
4-(aminomethyl)-N-[2-(3-methylphenoxy)propyl]benzamide;hydrochloride
CID 119335746
3-[[ethylamino-[2-(3-methylphenoxy)propylamino]methylidene]amino]-2,2-dimethylpropanamide;hydroiodide
CID 111685705
(2S)-2-amino-N-[2-(3-methylphenoxy)propyl]-4-methylsulfanylbutanamide;hydrochloride
CID 119335742
2-amino-N-[2-hydroxy-3-[3-(trifluoromethyl)phenoxy]propyl]-2-methylpentanamide;hydrochloride
CID 119751688
N-[2-(3-methylphenoxy)propyl]pyrrolidine-2-carboxamide;hydrochloride
CID 119335744
2-amino-N-(2-phenoxypropyl)-2-phenylpropanamide
CID 120589356

Frequently Asked Questions

What is the IUPAC name of 2-amino-2-methyl-N-[2-(3-methylphenoxy)propyl]pentanamide;hydrochloride?
The IUPAC name of 2-amino-2-methyl-N-[2-(3-methylphenoxy)propyl]pentanamide;hydrochloride (CID 119804957) is 2-amino-2-methyl-N-[2-(3-methylphenoxy)propyl]pentanamide;hydrochloride.
What is the SMILES notation for 2-amino-2-methyl-N-[2-(3-methylphenoxy)propyl]pentanamide;hydrochloride?
The canonical SMILES for 2-amino-2-methyl-N-[2-(3-methylphenoxy)propyl]pentanamide;hydrochloride is CCCC(C)(N)C(=O)NCC(C)Oc1cccc(C)c1.Cl.
What is the InChIKey of 2-amino-2-methyl-N-[2-(3-methylphenoxy)propyl]pentanamide;hydrochloride?
The InChIKey is FZSHASLRXYVFJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O2.ClH/c1-5-9-16(4,17)15(19)18-11-13(3)20-14-8-6-7-12(2)10-14;/h6-8,10,13H,5,9,11,17H2,1-4H3,(H,18,19);1H.
What are the key properties of 2-amino-2-methyl-N-[2-(3-methylphenoxy)propyl]pentanamide;hydrochloride?
2-amino-2-methyl-N-[2-(3-methylphenoxy)propyl]pentanamide;hydrochloride has a molecular weight of 314.86 g/mol, XLogP of 2.82, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-2-methyl-N-[2-(3-methylphenoxy)propyl]pentanamide;hydrochloride is sourced from PubChem (CID 119804957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).