2-amino-N-[2-(3-methoxyphenoxy)propyl]-2-methylpentanamide;hydrochloride

C16H27ClN2O3 — CID 119804565

IUPAC2-amino-N-[2-(3-methoxyphenoxy)propyl]-2-methylpentanamide;hydrochloride
SMILESCCCC(C)(N)C(=O)NCC(C)Oc1cccc(OC)c1.Cl
InChIInChI=1S/C16H26N2O3.ClH/c1-5-9-16(3,17)15(19)18-11-12(2)21-14-8-6-7-13(10-14)20-4;/h6-8,10,12H,5,9,11,17H2,1-4H3,(H,18,19);1H
InChIKeyXUXPNSJKTRHOMA-UHFFFAOYSA-N
MW330.86 g/mol
LogP2.52
Rot. Bonds8

About 2-amino-N-[2-(3-methoxyphenoxy)propyl]-2-methylpentanamide;hydrochloride

2-amino-N-[2-(3-methoxyphenoxy)propyl]-2-methylpentanamide;hydrochloride (PubChem CID 119804565) has the molecular formula C16H27ClN2O3 and a molecular weight of 330.86 g/mol. Its IUPAC name is 2-amino-N-[2-(3-methoxyphenoxy)propyl]-2-methylpentanamide;hydrochloride.

Molecular Properties

Compound Name2-amino-N-[2-(3-methoxyphenoxy)propyl]-2-methylpentanamide;hydrochloride
PubChem CID119804565
Molecular FormulaC16H27ClN2O3
Molecular Weight330.86 g/mol
Exact Mass330.17
IUPAC Name2-amino-N-[2-(3-methoxyphenoxy)propyl]-2-methylpentanamide;hydrochloride
SMILESCCCC(C)(N)C(=O)NCC(C)Oc1cccc(OC)c1.Cl
InChIInChI=1S/C16H26N2O3.ClH/c1-5-9-16(3,17)15(19)18-11-12(2)21-14-8-6-7-13(10-14)20-4;/h6-8,10,12H,5,9,11,17H2,1-4H3,(H,18,19);1H
InChIKeyXUXPNSJKTRHOMA-UHFFFAOYSA-N
XLogP2.52
TPSA73.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.86
LogP ≤ 52.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-amino-2-methyl-N-[2-(3-methylphenoxy)propyl]pentanamide;hydrochloride
CID 119804957
2-amino-2-methyl-N-[2-(3-methylphenoxy)propyl]pentanamide
CID 119804958
2-amino-N-[2-hydroxy-2-(3-propan-2-yloxyphenyl)ethyl]-2-methylpentanamide
CID 119792571
N-[2-[(2-amino-2-methylpentanoyl)amino]ethyl]-3-methoxybenzamide
CID 119703544
2-amino-N-[2-hydroxy-2-(4-propan-2-yloxyphenyl)ethyl]-2-methylpentanamide;hydrochloride
CID 119792716
2-amino-N-(4-methoxy-2-methylphenyl)-2-methylpentanamide;hydrochloride
CID 119709502
4-(methoxymethyl)-N-[2-(3-methoxyphenoxy)propyl]piperidine-4-carboxamide;hydrochloride
CID 120636224
2-amino-N-[2-hydroxy-3-[3-(trifluoromethyl)phenoxy]propyl]-2-methylpentanamide;hydrochloride
CID 119751688
2-amino-N-(2-hydroxy-4-methoxyphenyl)-2-methylpentanamide
CID 102695178
2-amino-N-(2-phenoxypropyl)-2-phenylpropanamide
CID 120589356
4-(3-methoxyphenoxy)-2-methyl-2-(propylamino)pentanamide
CID 64706836
(2S)-2-amino-N-[2-(3-methoxyphenoxy)propyl]-3-phenylpropanamide
CID 119335528

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[2-(3-methoxyphenoxy)propyl]-2-methylpentanamide;hydrochloride?
The IUPAC name of 2-amino-N-[2-(3-methoxyphenoxy)propyl]-2-methylpentanamide;hydrochloride (CID 119804565) is 2-amino-N-[2-(3-methoxyphenoxy)propyl]-2-methylpentanamide;hydrochloride.
What is the SMILES notation for 2-amino-N-[2-(3-methoxyphenoxy)propyl]-2-methylpentanamide;hydrochloride?
The canonical SMILES for 2-amino-N-[2-(3-methoxyphenoxy)propyl]-2-methylpentanamide;hydrochloride is CCCC(C)(N)C(=O)NCC(C)Oc1cccc(OC)c1.Cl.
What is the InChIKey of 2-amino-N-[2-(3-methoxyphenoxy)propyl]-2-methylpentanamide;hydrochloride?
The InChIKey is XUXPNSJKTRHOMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O3.ClH/c1-5-9-16(3,17)15(19)18-11-12(2)21-14-8-6-7-13(10-14)20-4;/h6-8,10,12H,5,9,11,17H2,1-4H3,(H,18,19);1H.
What are the key properties of 2-amino-N-[2-(3-methoxyphenoxy)propyl]-2-methylpentanamide;hydrochloride?
2-amino-N-[2-(3-methoxyphenoxy)propyl]-2-methylpentanamide;hydrochloride has a molecular weight of 330.86 g/mol, XLogP of 2.52, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[2-(3-methoxyphenoxy)propyl]-2-methylpentanamide;hydrochloride is sourced from PubChem (CID 119804565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).