2-amino-2-methyl-N-[[2-(phenylmethoxymethyl)phenyl]methyl]pentanamide;hydrochloride

C21H29ClN2O2 — CID 119718098

IUPAC2-amino-2-methyl-N-[[2-(phenylmethoxymethyl)phenyl]methyl]pentanamide;hydrochloride
SMILESCCCC(C)(N)C(=O)NCc1ccccc1COCc1ccccc1.Cl
InChIInChI=1S/C21H28N2O2.ClH/c1-3-13-21(2,22)20(24)23-14-18-11-7-8-12-19(18)16-25-15-17-9-5-4-6-10-17;/h4-12H,3,13-16,22H2,1-2H3,(H,23,24);1H
InChIKeyYCJQTKFEZDKLBQ-UHFFFAOYSA-N
MW376.93 g/mol
LogP3.96
Rot. Bonds9

About 2-amino-2-methyl-N-[[2-(phenylmethoxymethyl)phenyl]methyl]pentanamide;hydrochloride

2-amino-2-methyl-N-[[2-(phenylmethoxymethyl)phenyl]methyl]pentanamide;hydrochloride (PubChem CID 119718098) has the molecular formula C21H29ClN2O2 and a molecular weight of 376.93 g/mol. Its IUPAC name is 2-amino-2-methyl-N-[[2-(phenylmethoxymethyl)phenyl]methyl]pentanamide;hydrochloride.

Molecular Properties

Compound Name2-amino-2-methyl-N-[[2-(phenylmethoxymethyl)phenyl]methyl]pentanamide;hydrochloride
PubChem CID119718098
Molecular FormulaC21H29ClN2O2
Molecular Weight376.93 g/mol
Exact Mass376.19
IUPAC Name2-amino-2-methyl-N-[[2-(phenylmethoxymethyl)phenyl]methyl]pentanamide;hydrochloride
SMILESCCCC(C)(N)C(=O)NCc1ccccc1COCc1ccccc1.Cl
InChIInChI=1S/C21H28N2O2.ClH/c1-3-13-21(2,22)20(24)23-14-18-11-7-8-12-19(18)16-25-15-17-9-5-4-6-10-17;/h4-12H,3,13-16,22H2,1-2H3,(H,23,24);1H
InChIKeyYCJQTKFEZDKLBQ-UHFFFAOYSA-N
XLogP3.96
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.93
LogP ≤ 53.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-N-[[4-(methoxymethyl)phenyl]methyl]-2-methylpentanamide;hydrochloride
CID 119718156
2-amino-N-[[2-(ethoxymethyl)phenyl]methyl]-2-methylpropanamide
CID 61266399
2-amino-2-methyl-N-[[2-(trifluoromethyl)phenyl]methyl]pentanamide
CID 62880973
benzyl 2-amino-2-methylpentanoate
CID 61276990
(2R)-2-amino-N-[[2-(phenylmethoxymethyl)phenyl]methyl]propanamide
CID 119286428
3-amino-N-[[2-(phenylmethoxymethyl)phenyl]methyl]propanamide;hydrochloride
CID 119286417
2-amino-2-methyl-N-(3-phenylpropyl)pentanamide;hydrochloride
CID 119674817
2-amino-2-methyl-N-[[2-(1,2,4-triazol-1-ylmethyl)phenyl]methyl]pentanamide;dihydrochloride
CID 119846813
2-amino-N-[[3-(hydroxymethyl)phenyl]methyl]-2-methylpentanamide;hydrochloride
CID 119775504
2-amino-N-[1-(benzylamino)-1-oxopropan-2-yl]-2-methylpentanamide;hydrochloride
CID 119750998
3-amino-N-[[2-(ethoxymethyl)phenyl]methyl]-2,2-dimethylpropanamide
CID 81490013
N-[[2-(phenylmethoxymethyl)phenyl]methyl]-2-sulfamoylpropanamide
CID 154868821

Frequently Asked Questions

What is the IUPAC name of 2-amino-2-methyl-N-[[2-(phenylmethoxymethyl)phenyl]methyl]pentanamide;hydrochloride?
The IUPAC name of 2-amino-2-methyl-N-[[2-(phenylmethoxymethyl)phenyl]methyl]pentanamide;hydrochloride (CID 119718098) is 2-amino-2-methyl-N-[[2-(phenylmethoxymethyl)phenyl]methyl]pentanamide;hydrochloride.
What is the SMILES notation for 2-amino-2-methyl-N-[[2-(phenylmethoxymethyl)phenyl]methyl]pentanamide;hydrochloride?
The canonical SMILES for 2-amino-2-methyl-N-[[2-(phenylmethoxymethyl)phenyl]methyl]pentanamide;hydrochloride is CCCC(C)(N)C(=O)NCc1ccccc1COCc1ccccc1.Cl.
What is the InChIKey of 2-amino-2-methyl-N-[[2-(phenylmethoxymethyl)phenyl]methyl]pentanamide;hydrochloride?
The InChIKey is YCJQTKFEZDKLBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N2O2.ClH/c1-3-13-21(2,22)20(24)23-14-18-11-7-8-12-19(18)16-25-15-17-9-5-4-6-10-17;/h4-12H,3,13-16,22H2,1-2H3,(H,23,24);1H.
What are the key properties of 2-amino-2-methyl-N-[[2-(phenylmethoxymethyl)phenyl]methyl]pentanamide;hydrochloride?
2-amino-2-methyl-N-[[2-(phenylmethoxymethyl)phenyl]methyl]pentanamide;hydrochloride has a molecular weight of 376.93 g/mol, XLogP of 3.96, 9 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-(phenylmethoxymethyl)phenyl]methyl]pentanamide;hydrochloride is sourced from PubChem (CID 119718098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).