(2S)-2-amino-N-[(2-methoxynaphthalen-1-yl)methyl]-3,3-dimethylbutanamide;hydrochloride

C18H25ClN2O2 — CID 119709365

IUPAC(2S)-2-amino-N-[(2-methoxynaphthalen-1-yl)methyl]-3,3-dimethylbutanamide;hydrochloride
SMILESCOc1ccc2ccccc2c1CNC(=O)[C@@H](N)C(C)(C)C.Cl
InChIInChI=1S/C18H24N2O2.ClH/c1-18(2,3)16(19)17(21)20-11-14-13-8-6-5-7-12(13)9-10-15(14)22-4;/h5-10,16H,11,19H2,1-4H3,(H,20,21);1H/t16-;/m1./s1
InChIKeyIWICLXMCCWKTNW-PKLMIRHRSA-N
MW336.86 g/mol
LogP3.26
Rot. Bonds4

About (2S)-2-amino-N-[(2-methoxynaphthalen-1-yl)methyl]-3,3-dimethylbutanamide;hydrochloride

(2S)-2-amino-N-[(2-methoxynaphthalen-1-yl)methyl]-3,3-dimethylbutanamide;hydrochloride (PubChem CID 119709365) has the molecular formula C18H25ClN2O2 and a molecular weight of 336.86 g/mol. Its IUPAC name is (2S)-2-amino-N-[(2-methoxynaphthalen-1-yl)methyl]-3,3-dimethylbutanamide;hydrochloride.

Molecular Properties

Compound Name(2S)-2-amino-N-[(2-methoxynaphthalen-1-yl)methyl]-3,3-dimethylbutanamide;hydrochloride
PubChem CID119709365
Molecular FormulaC18H25ClN2O2
Molecular Weight336.86 g/mol
Exact Mass336.16
IUPAC Name(2S)-2-amino-N-[(2-methoxynaphthalen-1-yl)methyl]-3,3-dimethylbutanamide;hydrochloride
SMILESCOc1ccc2ccccc2c1CNC(=O)[C@@H](N)C(C)(C)C.Cl
InChIInChI=1S/C18H24N2O2.ClH/c1-18(2,3)16(19)17(21)20-11-14-13-8-6-5-7-12(13)9-10-15(14)22-4;/h5-10,16H,11,19H2,1-4H3,(H,20,21);1H/t16-;/m1./s1
InChIKeyIWICLXMCCWKTNW-PKLMIRHRSA-N
XLogP3.26
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.86
LogP ≤ 53.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-N-[(2-methoxynaphthalen-1-yl)methyl]pentanamide
CID 119281603
4-amino-N-[(2-methoxynaphthalen-1-yl)methyl]pentanamide;hydrochloride
CID 120559869
(2S)-2-amino-3,3-dimethyl-N-[(2,4,6-trimethoxyphenyl)methyl]butanamide;hydrochloride
CID 119733862
methyl 2-[(2-methoxynaphthalen-1-yl)methylamino]propanoate
CID 60780634
1-(2-methoxynaphthalen-1-yl)-N-[(2-methylpropan-2-yl)oxy]methanamine
CID 82719701
(2S)-2-amino-3,3-dimethyl-N-[(2-methylphenyl)methyl]butanamide;hydrochloride
CID 119688348
2-[(2-methoxynaphthalen-1-yl)methylamino]-5,5-dimethylhexanoic acid
CID 175558771
2,3-dichloro-N-[1-[(2-methoxynaphthalen-1-yl)methylamino]-1-oxopropan-2-yl]benzamide
CID 55738713
N-[(6-bromo-2-methoxynaphthalen-1-yl)methyl]-2,2-diphenylacetamide
CID 3480217
(2S)-2-amino-N-[(4-chloro-2-methoxyphenyl)methyl]-3,3-dimethylbutanamide;hydrochloride
CID 119779172
methyl 4-[[[(2S)-2-amino-3,3-dimethylbutanoyl]amino]methyl]benzoate
CID 61274721
N-[(2-methoxynaphthalen-1-yl)methyl]butan-2-amine;hydrochloride
CID 17292334

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-N-[(2-methoxynaphthalen-1-yl)methyl]-3,3-dimethylbutanamide;hydrochloride?
The IUPAC name of (2S)-2-amino-N-[(2-methoxynaphthalen-1-yl)methyl]-3,3-dimethylbutanamide;hydrochloride (CID 119709365) is (2S)-2-amino-N-[(2-methoxynaphthalen-1-yl)methyl]-3,3-dimethylbutanamide;hydrochloride.
What is the SMILES notation for (2S)-2-amino-N-[(2-methoxynaphthalen-1-yl)methyl]-3,3-dimethylbutanamide;hydrochloride?
The canonical SMILES for (2S)-2-amino-N-[(2-methoxynaphthalen-1-yl)methyl]-3,3-dimethylbutanamide;hydrochloride is COc1ccc2ccccc2c1CNC(=O)[C@@H](N)C(C)(C)C.Cl.
What is the InChIKey of (2S)-2-amino-N-[(2-methoxynaphthalen-1-yl)methyl]-3,3-dimethylbutanamide;hydrochloride?
The InChIKey is IWICLXMCCWKTNW-PKLMIRHRSA-N. The full InChI is InChI=1S/C18H24N2O2.ClH/c1-18(2,3)16(19)17(21)20-11-14-13-8-6-5-7-12(13)9-10-15(14)22-4;/h5-10,16H,11,19H2,1-4H3,(H,20,21);1H/t16-;/m1./s1.
What are the key properties of (2S)-2-amino-N-[(2-methoxynaphthalen-1-yl)methyl]-3,3-dimethylbutanamide;hydrochloride?
(2S)-2-amino-N-[(2-methoxynaphthalen-1-yl)methyl]-3,3-dimethylbutanamide;hydrochloride has a molecular weight of 336.86 g/mol, XLogP of 3.26, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-N-[(2-methoxynaphthalen-1-yl)methyl]-3,3-dimethylbutanamide;hydrochloride is sourced from PubChem (CID 119709365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).