(2R)-2-amino-N-[(4-hydroxy-3-methoxyphenyl)methyl]-N,3,3-trimethylbutanamide

C15H24N2O3 — CID 103929356

IUPAC(2R)-2-amino-N-[(4-hydroxy-3-methoxyphenyl)methyl]-N,3,3-trimethylbutanamide
SMILESCOc1cc(CN(C)C(=O)[C@H](N)C(C)(C)C)ccc1O
InChIInChI=1S/C15H24N2O3/c1-15(2,3)13(16)14(19)17(4)9-10-6-7-11(18)12(8-10)20-5/h6-8,13,18H,9,16H2,1-5H3/t13-/m0/s1
InChIKeyXSLGXTFEDKLKMT-ZDUSSCGKSA-N
MW280.37 g/mol
LogP1.73
Rot. Bonds4

About (2R)-2-amino-N-[(4-hydroxy-3-methoxyphenyl)methyl]-N,3,3-trimethylbutanamide

(2R)-2-amino-N-[(4-hydroxy-3-methoxyphenyl)methyl]-N,3,3-trimethylbutanamide (PubChem CID 103929356) has the molecular formula C15H24N2O3 and a molecular weight of 280.37 g/mol. Its IUPAC name is (2R)-2-amino-N-[(4-hydroxy-3-methoxyphenyl)methyl]-N,3,3-trimethylbutanamide.

Molecular Properties

Compound Name(2R)-2-amino-N-[(4-hydroxy-3-methoxyphenyl)methyl]-N,3,3-trimethylbutanamide
PubChem CID103929356
Molecular FormulaC15H24N2O3
Molecular Weight280.37 g/mol
Exact Mass280.18
IUPAC Name(2R)-2-amino-N-[(4-hydroxy-3-methoxyphenyl)methyl]-N,3,3-trimethylbutanamide
SMILESCOc1cc(CN(C)C(=O)[C@H](N)C(C)(C)C)ccc1O
InChIInChI=1S/C15H24N2O3/c1-15(2,3)13(16)14(19)17(4)9-10-6-7-11(18)12(8-10)20-5/h6-8,13,18H,9,16H2,1-5H3/t13-/m0/s1
InChIKeyXSLGXTFEDKLKMT-ZDUSSCGKSA-N
XLogP1.73
TPSA75.79 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.37
LogP ≤ 51.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-2-amino-N-[(4-hydroxy-3-methoxyphenyl)methyl]-N,3-dimethylbutanamide
CID 79012977
(2S)-2-amino-N-[(4-hydroxy-3-methoxyphenyl)methyl]-N-methylbutanamide
CID 79024662
N-[(4-hydroxy-3-methoxyphenyl)methyl]-N,2-dimethylpropanamide
CID 64592034
(2R)-2-amino-N-[(3-methoxyphenyl)methyl]-N,3,3-trimethylbutanamide
CID 103929069
(2R)-2-amino-N-[(3,4-dichlorophenyl)methyl]-N,3,3-trimethylbutanamide
CID 103929088
2-amino-N-[(2-methoxy-5-methylphenyl)methyl]-N,3,3-trimethylbutanamide
CID 76896843
(2S)-2-amino-N-[(2-methoxyphenyl)methyl]-N,3,3-trimethylbutanamide
CID 61157066
2-amino-N-[(5-bromo-2-methoxyphenyl)methyl]-N,3,3-trimethylbutanamide
CID 76894868
4-amino-N-[(4-hydroxy-3-methoxyphenyl)methyl]-N-methylbenzamide
CID 60963073
(2S)-2-amino-N,3,3-trimethyl-N-[(4-methylphenyl)methyl]butanamide;hydrochloride
CID 119681885
2-(aminomethyl)-2-ethyl-N-[(4-hydroxy-3-methoxyphenyl)methyl]-N-methylbutanamide
CID 115432186
(2S)-2-amino-N-benzyl-N,3,3-trimethylbutanamide
CID 61148158

Frequently Asked Questions

What is the IUPAC name of (2R)-2-amino-N-[(4-hydroxy-3-methoxyphenyl)methyl]-N,3,3-trimethylbutanamide?
The IUPAC name of (2R)-2-amino-N-[(4-hydroxy-3-methoxyphenyl)methyl]-N,3,3-trimethylbutanamide (CID 103929356) is (2R)-2-amino-N-[(4-hydroxy-3-methoxyphenyl)methyl]-N,3,3-trimethylbutanamide.
What is the SMILES notation for (2R)-2-amino-N-[(4-hydroxy-3-methoxyphenyl)methyl]-N,3,3-trimethylbutanamide?
The canonical SMILES for (2R)-2-amino-N-[(4-hydroxy-3-methoxyphenyl)methyl]-N,3,3-trimethylbutanamide is COc1cc(CN(C)C(=O)[C@H](N)C(C)(C)C)ccc1O.
What is the InChIKey of (2R)-2-amino-N-[(4-hydroxy-3-methoxyphenyl)methyl]-N,3,3-trimethylbutanamide?
The InChIKey is XSLGXTFEDKLKMT-ZDUSSCGKSA-N. The full InChI is InChI=1S/C15H24N2O3/c1-15(2,3)13(16)14(19)17(4)9-10-6-7-11(18)12(8-10)20-5/h6-8,13,18H,9,16H2,1-5H3/t13-/m0/s1.
What are the key properties of (2R)-2-amino-N-[(4-hydroxy-3-methoxyphenyl)methyl]-N,3,3-trimethylbutanamide?
(2R)-2-amino-N-[(4-hydroxy-3-methoxyphenyl)methyl]-N,3,3-trimethylbutanamide has a molecular weight of 280.37 g/mol, XLogP of 1.73, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-amino-N-[(4-hydroxy-3-methoxyphenyl)methyl]-N,3,3-trimethylbutanamide is sourced from PubChem (CID 103929356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).