(2S)-2-amino-N-[2-(2-methoxyphenoxy)propyl]-4-methylpentanamide;hydrochloride

C16H27ClN2O3 — CID 119804840

IUPAC(2S)-2-amino-N-[2-(2-methoxyphenoxy)propyl]-4-methylpentanamide;hydrochloride
SMILESCOc1ccccc1OC(C)CNC(=O)[C@@H](N)CC(C)C.Cl
InChIInChI=1S/C16H26N2O3.ClH/c1-11(2)9-13(17)16(19)18-10-12(3)21-15-8-6-5-7-14(15)20-4;/h5-8,11-13H,9-10,17H2,1-4H3,(H,18,19);1H/t12?,13-;/m0./s1
InChIKeyLRVYPIXXANFYKF-ZEDZUCNESA-N
MW330.86 g/mol
LogP2.37
Rot. Bonds8

About (2S)-2-amino-N-[2-(2-methoxyphenoxy)propyl]-4-methylpentanamide;hydrochloride

(2S)-2-amino-N-[2-(2-methoxyphenoxy)propyl]-4-methylpentanamide;hydrochloride (PubChem CID 119804840) has the molecular formula C16H27ClN2O3 and a molecular weight of 330.86 g/mol. Its IUPAC name is (2S)-2-amino-N-[2-(2-methoxyphenoxy)propyl]-4-methylpentanamide;hydrochloride.

Molecular Properties

Compound Name(2S)-2-amino-N-[2-(2-methoxyphenoxy)propyl]-4-methylpentanamide;hydrochloride
PubChem CID119804840
Molecular FormulaC16H27ClN2O3
Molecular Weight330.86 g/mol
Exact Mass330.17
IUPAC Name(2S)-2-amino-N-[2-(2-methoxyphenoxy)propyl]-4-methylpentanamide;hydrochloride
SMILESCOc1ccccc1OC(C)CNC(=O)[C@@H](N)CC(C)C.Cl
InChIInChI=1S/C16H26N2O3.ClH/c1-11(2)9-13(17)16(19)18-10-12(3)21-15-8-6-5-7-14(15)20-4;/h5-8,11-13H,9-10,17H2,1-4H3,(H,18,19);1H/t12?,13-;/m0./s1
InChIKeyLRVYPIXXANFYKF-ZEDZUCNESA-N
XLogP2.37
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 ≤ 52.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-2-amino-N-[2-(2-fluorophenoxy)propyl]-4-methylpentanamide;hydrochloride
CID 119804898
3-amino-N-[2-(2-methoxyphenoxy)propyl]-2-methylbutanamide;hydrochloride
CID 120501660
(2S)-2-amino-N-[2-(3-chlorophenoxy)propyl]-4-methylpentanamide;hydrochloride
CID 119807149
(2S)-2-amino-N-(2-methoxy-2-phenylethyl)-4-methylpentanamide;hydrochloride
CID 119703944
3-[2-(2-methoxyphenoxy)propylcarbamoylamino]propanoic acid
CID 122004183
(2S)-2-amino-N-[2-(2-methylphenoxy)propyl]-3-phenylpropanamide;hydrochloride
CID 119335772
1-[2-(2-methoxyphenoxy)propyl]-2-(2-methylpropyl)guanidine
CID 111820552
2-amino-1-(2-methoxyphenyl)-4-methylpentan-1-one
CID 75357386
1-[2-(2-methoxyphenoxy)propyl]-2-(2-methylpropyl)guanidine;hydroiodide
CID 111820551
(2S)-2-amino-N-[2-(4-methoxyphenoxy)propyl]-3-phenylpropanamide;hydrochloride
CID 119290472
(2S)-2-amino-N-[2-(2-methylphenoxy)propyl]-4-methylsulfanylbutanamide;hydrochloride
CID 119335774
(2S)-2-amino-N-[(2-methoxyphenyl)methyl]-N,4-dimethylpentanamide;hydrochloride
CID 119681273

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-N-[2-(2-methoxyphenoxy)propyl]-4-methylpentanamide;hydrochloride?
The IUPAC name of (2S)-2-amino-N-[2-(2-methoxyphenoxy)propyl]-4-methylpentanamide;hydrochloride (CID 119804840) is (2S)-2-amino-N-[2-(2-methoxyphenoxy)propyl]-4-methylpentanamide;hydrochloride.
What is the SMILES notation for (2S)-2-amino-N-[2-(2-methoxyphenoxy)propyl]-4-methylpentanamide;hydrochloride?
The canonical SMILES for (2S)-2-amino-N-[2-(2-methoxyphenoxy)propyl]-4-methylpentanamide;hydrochloride is COc1ccccc1OC(C)CNC(=O)[C@@H](N)CC(C)C.Cl.
What is the InChIKey of (2S)-2-amino-N-[2-(2-methoxyphenoxy)propyl]-4-methylpentanamide;hydrochloride?
The InChIKey is LRVYPIXXANFYKF-ZEDZUCNESA-N. The full InChI is InChI=1S/C16H26N2O3.ClH/c1-11(2)9-13(17)16(19)18-10-12(3)21-15-8-6-5-7-14(15)20-4;/h5-8,11-13H,9-10,17H2,1-4H3,(H,18,19);1H/t12?,13-;/m0./s1.
What are the key properties of (2S)-2-amino-N-[2-(2-methoxyphenoxy)propyl]-4-methylpentanamide;hydrochloride?
(2S)-2-amino-N-[2-(2-methoxyphenoxy)propyl]-4-methylpentanamide;hydrochloride has a molecular weight of 330.86 g/mol, XLogP of 2.37, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-N-[2-(2-methoxyphenoxy)propyl]-4-methylpentanamide;hydrochloride is sourced from PubChem (CID 119804840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).