(2S)-2-amino-N-[(2-methoxyphenyl)methyl]-N,4-dimethylpentanamide;hydrochloride

C15H25ClN2O2 — CID 119681273

IUPAC(2S)-2-amino-N-[(2-methoxyphenyl)methyl]-N,4-dimethylpentanamide;hydrochloride
SMILESCOc1ccccc1CN(C)C(=O)[C@@H](N)CC(C)C.Cl
InChIInChI=1S/C15H24N2O2.ClH/c1-11(2)9-13(16)15(18)17(3)10-12-7-5-6-8-14(12)19-4;/h5-8,11,13H,9-10,16H2,1-4H3;1H/t13-;/m0./s1
InChIKeyFBZWLZDWEGKLAB-ZOWNYOTGSA-N
MW300.83 g/mol
LogP2.45
Rot. Bonds6

About (2S)-2-amino-N-[(2-methoxyphenyl)methyl]-N,4-dimethylpentanamide;hydrochloride

(2S)-2-amino-N-[(2-methoxyphenyl)methyl]-N,4-dimethylpentanamide;hydrochloride (PubChem CID 119681273) has the molecular formula C15H25ClN2O2 and a molecular weight of 300.83 g/mol. Its IUPAC name is (2S)-2-amino-N-[(2-methoxyphenyl)methyl]-N,4-dimethylpentanamide;hydrochloride.

Molecular Properties

Compound Name(2S)-2-amino-N-[(2-methoxyphenyl)methyl]-N,4-dimethylpentanamide;hydrochloride
PubChem CID119681273
Molecular FormulaC15H25ClN2O2
Molecular Weight300.83 g/mol
Exact Mass300.16
IUPAC Name(2S)-2-amino-N-[(2-methoxyphenyl)methyl]-N,4-dimethylpentanamide;hydrochloride
SMILESCOc1ccccc1CN(C)C(=O)[C@@H](N)CC(C)C.Cl
InChIInChI=1S/C15H24N2O2.ClH/c1-11(2)9-13(16)15(18)17(3)10-12-7-5-6-8-14(12)19-4;/h5-8,11,13H,9-10,16H2,1-4H3;1H/t13-;/m0./s1
InChIKeyFBZWLZDWEGKLAB-ZOWNYOTGSA-N
XLogP2.45
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.83
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-N-[1-(2-methoxyphenyl)propan-2-yl]-N,4-dimethylpentanamide
CID 65488585
(2S)-2-amino-N-[(2-methoxyphenyl)methyl]-N,3,3-trimethylbutanamide
CID 61157066
(2S)-2-amino-N-[(4,5-dimethoxy-2-methylsulfanylphenyl)methyl]-N,4-dimethylpentanamide
CID 119800637
(2R)-2-amino-N-(2-methoxyphenyl)-N,4-dimethylpentanamide
CID 104903371
2-amino-N-[(2-ethoxyphenyl)methyl]-4-methoxy-N-methylbutanamide
CID 62474844
(2S)-2-amino-N-[(4-methoxy-3-methylphenyl)methyl]-N,4-dimethylpentanamide;hydrochloride
CID 119766961
(2R)-2-(2-ethylphenoxy)-N-[(2-methoxyphenyl)methyl]-N-methylpropanamide
CID 92672742
3-(ethylamino)-N-[(2-methoxyphenyl)methyl]-N,2-dimethylpropanamide
CID 62852033
(2S)-2-amino-N-[(2,3-dimethoxyphenyl)methyl]-N-methylbutanamide
CID 79024645
2-amino-N-[(2-ethoxyphenyl)methyl]-N-methylbutanediamide
CID 60962465
(2S)-2-(4-methoxyphenoxy)-N-[(2-methoxyphenyl)methyl]-N-methylpropanamide
CID 42093583
(2S)-2-[(2-methoxyphenyl)methyl-methylamino]-4-methylpentanoic acid
CID 70067664

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-N-[(2-methoxyphenyl)methyl]-N,4-dimethylpentanamide;hydrochloride?
The IUPAC name of (2S)-2-amino-N-[(2-methoxyphenyl)methyl]-N,4-dimethylpentanamide;hydrochloride (CID 119681273) is (2S)-2-amino-N-[(2-methoxyphenyl)methyl]-N,4-dimethylpentanamide;hydrochloride.
What is the SMILES notation for (2S)-2-amino-N-[(2-methoxyphenyl)methyl]-N,4-dimethylpentanamide;hydrochloride?
The canonical SMILES for (2S)-2-amino-N-[(2-methoxyphenyl)methyl]-N,4-dimethylpentanamide;hydrochloride is COc1ccccc1CN(C)C(=O)[C@@H](N)CC(C)C.Cl.
What is the InChIKey of (2S)-2-amino-N-[(2-methoxyphenyl)methyl]-N,4-dimethylpentanamide;hydrochloride?
The InChIKey is FBZWLZDWEGKLAB-ZOWNYOTGSA-N. The full InChI is InChI=1S/C15H24N2O2.ClH/c1-11(2)9-13(16)15(18)17(3)10-12-7-5-6-8-14(12)19-4;/h5-8,11,13H,9-10,16H2,1-4H3;1H/t13-;/m0./s1.
What are the key properties of (2S)-2-amino-N-[(2-methoxyphenyl)methyl]-N,4-dimethylpentanamide;hydrochloride?
(2S)-2-amino-N-[(2-methoxyphenyl)methyl]-N,4-dimethylpentanamide;hydrochloride has a molecular weight of 300.83 g/mol, XLogP of 2.45, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-N-[(2-methoxyphenyl)methyl]-N,4-dimethylpentanamide;hydrochloride is sourced from PubChem (CID 119681273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).