(2S)-2-amino-N-[(2-methoxyphenyl)methyl]-N,3,3-trimethylbutanamide

C15H24N2O2 — CID 61157066

IUPAC(2S)-2-amino-N-[(2-methoxyphenyl)methyl]-N,3,3-trimethylbutanamide
SMILESCOc1ccccc1CN(C)C(=O)[C@@H](N)C(C)(C)C
InChIInChI=1S/C15H24N2O2/c1-15(2,3)13(16)14(18)17(4)10-11-8-6-7-9-12(11)19-5/h6-9,13H,10,16H2,1-5H3/t13-/m1/s1
InChIKeyLBKOVBUPGVWGFI-CYBMUJFWSA-N
MW264.37 g/mol
LogP2.03
Rot. Bonds4

About (2S)-2-amino-N-[(2-methoxyphenyl)methyl]-N,3,3-trimethylbutanamide

(2S)-2-amino-N-[(2-methoxyphenyl)methyl]-N,3,3-trimethylbutanamide (PubChem CID 61157066) has the molecular formula C15H24N2O2 and a molecular weight of 264.37 g/mol. Its IUPAC name is (2S)-2-amino-N-[(2-methoxyphenyl)methyl]-N,3,3-trimethylbutanamide.

Molecular Properties

Compound Name(2S)-2-amino-N-[(2-methoxyphenyl)methyl]-N,3,3-trimethylbutanamide
PubChem CID61157066
Molecular FormulaC15H24N2O2
Molecular Weight264.37 g/mol
Exact Mass264.18
IUPAC Name(2S)-2-amino-N-[(2-methoxyphenyl)methyl]-N,3,3-trimethylbutanamide
SMILESCOc1ccccc1CN(C)C(=O)[C@@H](N)C(C)(C)C
InChIInChI=1S/C15H24N2O2/c1-15(2,3)13(16)14(18)17(4)10-11-8-6-7-9-12(11)19-5/h6-9,13H,10,16H2,1-5H3/t13-/m1/s1
InChIKeyLBKOVBUPGVWGFI-CYBMUJFWSA-N
XLogP2.03
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.37
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-N-[(2-methoxy-5-methylphenyl)methyl]-N,3,3-trimethylbutanamide
CID 76896843
2-amino-N-[(5-bromo-2-methoxyphenyl)methyl]-N,3,3-trimethylbutanamide
CID 76894868
(2S)-2-amino-N-(2-hydroxyethyl)-N-[(2-methoxyphenyl)methyl]-3,3-dimethylbutanamide
CID 61162884
(2R)-2-amino-N-[1-(2-methoxyphenyl)propan-2-yl]-N,3,3-trimethylbutanamide
CID 103930088
2-amino-N-[(2-bromophenyl)methyl]-N,3,3-trimethylbutanamide
CID 76895271
(2S)-2-amino-N-[(2-chlorophenyl)methyl]-N,3,3-trimethylbutanamide;hydrochloride
CID 119682671
(2S)-2-amino-N-[(2-methoxyphenyl)methyl]-N,4-dimethylpentanamide;hydrochloride
CID 119681273
(2S)-2-amino-N-benzyl-N,3,3-trimethylbutanamide
CID 61148158
2-amino-N-benzyl-N,3,3-trimethylbutanamide
CID 76891956
2-amino-N-[(2-methoxyphenyl)methyl]-N-methylacetamide
CID 60718962
(2R)-2-amino-N-[(4-hydroxy-3-methoxyphenyl)methyl]-N,3,3-trimethylbutanamide
CID 103929356
(2R)-2-(2-ethylphenoxy)-N-[(2-methoxyphenyl)methyl]-N-methylpropanamide
CID 92672742

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-N-[(2-methoxyphenyl)methyl]-N,3,3-trimethylbutanamide?
The IUPAC name of (2S)-2-amino-N-[(2-methoxyphenyl)methyl]-N,3,3-trimethylbutanamide (CID 61157066) is (2S)-2-amino-N-[(2-methoxyphenyl)methyl]-N,3,3-trimethylbutanamide.
What is the SMILES notation for (2S)-2-amino-N-[(2-methoxyphenyl)methyl]-N,3,3-trimethylbutanamide?
The canonical SMILES for (2S)-2-amino-N-[(2-methoxyphenyl)methyl]-N,3,3-trimethylbutanamide is COc1ccccc1CN(C)C(=O)[C@@H](N)C(C)(C)C.
What is the InChIKey of (2S)-2-amino-N-[(2-methoxyphenyl)methyl]-N,3,3-trimethylbutanamide?
The InChIKey is LBKOVBUPGVWGFI-CYBMUJFWSA-N. The full InChI is InChI=1S/C15H24N2O2/c1-15(2,3)13(16)14(18)17(4)10-11-8-6-7-9-12(11)19-5/h6-9,13H,10,16H2,1-5H3/t13-/m1/s1.
What are the key properties of (2S)-2-amino-N-[(2-methoxyphenyl)methyl]-N,3,3-trimethylbutanamide?
(2S)-2-amino-N-[(2-methoxyphenyl)methyl]-N,3,3-trimethylbutanamide has a molecular weight of 264.37 g/mol, XLogP of 2.03, 4 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,3,3-trimethylbutanamide is sourced from PubChem (CID 61157066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).