(2R)-2-amino-N-[[3,5-dimethyl-4-[(2-methylphenyl)methoxy]phenyl]methyl]-N-methylpropanamide;hydrochloride

C21H29ClN2O2 — CID 119328415

IUPAC(2R)-2-amino-N-[[3,5-dimethyl-4-[(2-methylphenyl)methoxy]phenyl]methyl]-N-methylpropanamide;hydrochloride
SMILESCc1ccccc1COc1c(C)cc(CN(C)C(=O)[C@@H](C)N)cc1C.Cl
InChIInChI=1S/C21H28N2O2.ClH/c1-14-8-6-7-9-19(14)13-25-20-15(2)10-18(11-16(20)3)12-23(5)21(24)17(4)22;/h6-11,17H,12-13,22H2,1-5H3;1H/t17-;/m1./s1
InChIKeyZRQGKSAUZLCCIU-UNTBIKODSA-N
MW376.93 g/mol
LogP3.92
Rot. Bonds6

About (2R)-2-amino-N-[[3,5-dimethyl-4-[(2-methylphenyl)methoxy]phenyl]methyl]-N-methylpropanamide;hydrochloride

(2R)-2-amino-N-[[3,5-dimethyl-4-[(2-methylphenyl)methoxy]phenyl]methyl]-N-methylpropanamide;hydrochloride (PubChem CID 119328415) has the molecular formula C21H29ClN2O2 and a molecular weight of 376.93 g/mol. Its IUPAC name is (2R)-2-amino-N-[[3,5-dimethyl-4-[(2-methylphenyl)methoxy]phenyl]methyl]-N-methylpropanamide;hydrochloride.

Molecular Properties

Compound Name(2R)-2-amino-N-[[3,5-dimethyl-4-[(2-methylphenyl)methoxy]phenyl]methyl]-N-methylpropanamide;hydrochloride
PubChem CID119328415
Molecular FormulaC21H29ClN2O2
Molecular Weight376.93 g/mol
Exact Mass376.19
IUPAC Name(2R)-2-amino-N-[[3,5-dimethyl-4-[(2-methylphenyl)methoxy]phenyl]methyl]-N-methylpropanamide;hydrochloride
SMILESCc1ccccc1COc1c(C)cc(CN(C)C(=O)[C@@H](C)N)cc1C.Cl
InChIInChI=1S/C21H28N2O2.ClH/c1-14-8-6-7-9-19(14)13-25-20-15(2)10-18(11-16(20)3)12-23(5)21(24)17(4)22;/h6-11,17H,12-13,22H2,1-5H3;1H/t17-;/m1./s1
InChIKeyZRQGKSAUZLCCIU-UNTBIKODSA-N
XLogP3.92
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.93
LogP ≤ 53.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2R)-2-amino-N-[[3,5-dimethyl-4-[(2-methylphenyl)methoxy]phenyl]methyl]-N-methylpropanamide;hydrochloride?
The IUPAC name of (2R)-2-amino-N-[[3,5-dimethyl-4-[(2-methylphenyl)methoxy]phenyl]methyl]-N-methylpropanamide;hydrochloride (CID 119328415) is (2R)-2-amino-N-[[3,5-dimethyl-4-[(2-methylphenyl)methoxy]phenyl]methyl]-N-methylpropanamide;hydrochloride.
What is the SMILES notation for (2R)-2-amino-N-[[3,5-dimethyl-4-[(2-methylphenyl)methoxy]phenyl]methyl]-N-methylpropanamide;hydrochloride?
The canonical SMILES for (2R)-2-amino-N-[[3,5-dimethyl-4-[(2-methylphenyl)methoxy]phenyl]methyl]-N-methylpropanamide;hydrochloride is Cc1ccccc1COc1c(C)cc(CN(C)C(=O)[C@@H](C)N)cc1C.Cl.
What is the InChIKey of (2R)-2-amino-N-[[3,5-dimethyl-4-[(2-methylphenyl)methoxy]phenyl]methyl]-N-methylpropanamide;hydrochloride?
The InChIKey is ZRQGKSAUZLCCIU-UNTBIKODSA-N. The full InChI is InChI=1S/C21H28N2O2.ClH/c1-14-8-6-7-9-19(14)13-25-20-15(2)10-18(11-16(20)3)12-23(5)21(24)17(4)22;/h6-11,17H,12-13,22H2,1-5H3;1H/t17-;/m1./s1.
What are the key properties of (2R)-2-amino-N-[[3,5-dimethyl-4-[(2-methylphenyl)methoxy]phenyl]methyl]-N-methylpropanamide;hydrochloride?
(2R)-2-amino-N-[[3,5-dimethyl-4-[(2-methylphenyl)methoxy]phenyl]methyl]-N-methylpropanamide;hydrochloride has a molecular weight of 376.93 g/mol, XLogP of 3.92, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-amino-N-[[3,5-dimethyl-4-[(2-methylphenyl)methoxy]phenyl]methyl]-N-methylpropanamide;hydrochloride is sourced from PubChem (CID 119328415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).