2-amino-N-[2-(2,6-dimethylphenoxy)ethyl]-3-methylpentanamide;hydrochloride

C16H27ClN2O2 — CID 119734945

IUPAC2-amino-N-[2-(2,6-dimethylphenoxy)ethyl]-3-methylpentanamide;hydrochloride
SMILESCCC(C)C(N)C(=O)NCCOc1c(C)cccc1C.Cl
InChIInChI=1S/C16H26N2O2.ClH/c1-5-11(2)14(17)16(19)18-9-10-20-15-12(3)7-6-8-13(15)4;/h6-8,11,14H,5,9-10,17H2,1-4H3,(H,18,19);1H
InChIKeyWOJJADBSSPCSFU-UHFFFAOYSA-N
MW314.86 g/mol
LogP2.59
Rot. Bonds7

About 2-amino-N-[2-(2,6-dimethylphenoxy)ethyl]-3-methylpentanamide;hydrochloride

2-amino-N-[2-(2,6-dimethylphenoxy)ethyl]-3-methylpentanamide;hydrochloride (PubChem CID 119734945) has the molecular formula C16H27ClN2O2 and a molecular weight of 314.86 g/mol. Its IUPAC name is 2-amino-N-[2-(2,6-dimethylphenoxy)ethyl]-3-methylpentanamide;hydrochloride.

Molecular Properties

Compound Name2-amino-N-[2-(2,6-dimethylphenoxy)ethyl]-3-methylpentanamide;hydrochloride
PubChem CID119734945
Molecular FormulaC16H27ClN2O2
Molecular Weight314.86 g/mol
Exact Mass314.18
IUPAC Name2-amino-N-[2-(2,6-dimethylphenoxy)ethyl]-3-methylpentanamide;hydrochloride
SMILESCCC(C)C(N)C(=O)NCCOc1c(C)cccc1C.Cl
InChIInChI=1S/C16H26N2O2.ClH/c1-5-11(2)14(17)16(19)18-9-10-20-15-12(3)7-6-8-13(15)4;/h6-8,11,14H,5,9-10,17H2,1-4H3,(H,18,19);1H
InChIKeyWOJJADBSSPCSFU-UHFFFAOYSA-N
XLogP2.59
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 ≤ 52.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

(2S)-2-amino-N-[2-(3-fluorophenoxy)ethyl]-3-methylpentanamide
CID 110482529
2-amino-3-methyl-N-[2-(2-propan-2-ylphenoxy)ethyl]pentanamide
CID 119784411
N-[2-(2,6-dimethylphenoxy)ethyl]-3-methylbutanamide
CID 113100718
2-amino-N-[2-(2,6-dimethylphenoxy)ethyl]-4-methylsulfonylbutanamide
CID 119956740
2-amino-3-methyl-N-[2-[2-(trifluoromethyl)phenoxy]ethyl]pentanamide
CID 119778077
2-amino-3-methyl-N-[2-[3-(trifluoromethyl)phenoxy]ethyl]pentanamide
CID 119736730
2-amino-N-(2-hydroxy-3-methylphenyl)-3-methylpentanamide
CID 79602659
(2S)-2-amino-N-(2-hydroxy-3-methylphenyl)-3-methylpentanamide
CID 79602661
3-(2,6-dimethylphenoxy)propylurea
CID 119091227
(2S,3S)-2-amino-3-methyl-N-[(3-methyl-2-pyridinyl)methyl]pentanamide
CID 63306281
(2S)-2-amino-3-methyl-N-(2-phenylethyl)pentanamide;hydrochloride
CID 67640844
2-amino-3-methyl-N-(naphthalen-1-ylmethyl)pentanamide;hydrochloride
CID 119709573

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[2-(2,6-dimethylphenoxy)ethyl]-3-methylpentanamide;hydrochloride?
The IUPAC name of 2-amino-N-[2-(2,6-dimethylphenoxy)ethyl]-3-methylpentanamide;hydrochloride (CID 119734945) is 2-amino-N-[2-(2,6-dimethylphenoxy)ethyl]-3-methylpentanamide;hydrochloride.
What is the SMILES notation for 2-amino-N-[2-(2,6-dimethylphenoxy)ethyl]-3-methylpentanamide;hydrochloride?
The canonical SMILES for 2-amino-N-[2-(2,6-dimethylphenoxy)ethyl]-3-methylpentanamide;hydrochloride is CCC(C)C(N)C(=O)NCCOc1c(C)cccc1C.Cl.
What is the InChIKey of 2-amino-N-[2-(2,6-dimethylphenoxy)ethyl]-3-methylpentanamide;hydrochloride?
The InChIKey is WOJJADBSSPCSFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O2.ClH/c1-5-11(2)14(17)16(19)18-9-10-20-15-12(3)7-6-8-13(15)4;/h6-8,11,14H,5,9-10,17H2,1-4H3,(H,18,19);1H.
What are the key properties of 2-amino-N-[2-(2,6-dimethylphenoxy)ethyl]-3-methylpentanamide;hydrochloride?
2-amino-N-[2-(2,6-dimethylphenoxy)ethyl]-3-methylpentanamide;hydrochloride has a molecular weight of 314.86 g/mol, XLogP of 2.59, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[2-(2,6-dimethylphenoxy)ethyl]-3-methylpentanamide;hydrochloride is sourced from PubChem (CID 119734945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).