2-amino-N-[(2-hydroxyphenyl)methyl]-N,2-dimethylbutanamide

C13H20N2O2 — CID 79804817

IUPAC2-amino-N-[(2-hydroxyphenyl)methyl]-N,2-dimethylbutanamide
SMILESCCC(C)(N)C(=O)N(C)Cc1ccccc1O
InChIInChI=1S/C13H20N2O2/c1-4-13(2,14)12(17)15(3)9-10-7-5-6-8-11(10)16/h5-8,16H,4,9,14H2,1-3H3
InChIKeyDQYRSTFFDCBGSH-UHFFFAOYSA-N
MW236.31 g/mol
LogP1.48
Rot. Bonds4

About 2-amino-N-[(2-hydroxyphenyl)methyl]-N,2-dimethylbutanamide

2-amino-N-[(2-hydroxyphenyl)methyl]-N,2-dimethylbutanamide (PubChem CID 79804817) has the molecular formula C13H20N2O2 and a molecular weight of 236.31 g/mol. Its IUPAC name is 2-amino-N-[(2-hydroxyphenyl)methyl]-N,2-dimethylbutanamide.

Molecular Properties

Compound Name2-amino-N-[(2-hydroxyphenyl)methyl]-N,2-dimethylbutanamide
PubChem CID79804817
Molecular FormulaC13H20N2O2
Molecular Weight236.31 g/mol
Exact Mass236.15
IUPAC Name2-amino-N-[(2-hydroxyphenyl)methyl]-N,2-dimethylbutanamide
SMILESCCC(C)(N)C(=O)N(C)Cc1ccccc1O
InChIInChI=1S/C13H20N2O2/c1-4-13(2,14)12(17)15(3)9-10-7-5-6-8-11(10)16/h5-8,16H,4,9,14H2,1-3H3
InChIKeyDQYRSTFFDCBGSH-UHFFFAOYSA-N
XLogP1.48
TPSA66.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.31
LogP ≤ 51.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}

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Related Compounds

2-amino-N-[(2,3-dichlorophenyl)methyl]-N,2-dimethylbutanamide
CID 79805999
2-amino-N-[(2,4-dichlorophenyl)methyl]-N,2-dimethylbutanamide
CID 79805049
2-amino-N,2-dimethyl-N-(thiophen-3-ylmethyl)butanamide
CID 79797348
2-amino-N,2-dimethyl-N-[(2-nitrophenyl)methyl]pentanamide;hydrochloride
CID 119723180
N-[(2-bromophenyl)methyl]-N,2,2-trimethylbutanamide
CID 55102721
2-amino-N-benzyl-N,2-dimethylpentanamide
CID 60848746
2-chloro-N-[(2-hydroxyphenyl)methyl]-N-methylacetamide
CID 60809822
2-amino-N-[(2,3-dichlorophenyl)methyl]-N,2-dimethylpentanamide;hydrochloride
CID 119682478
2-(2-aminophenyl)-N-[(2-hydroxyphenyl)methyl]-N-methylacetamide
CID 61115894
(2S,3S)-2-amino-N-[(2-hydroxyphenyl)methyl]-N,3-dimethylpentanamide
CID 61164001
2-amino-N-(2,2-dimethylpropyl)-N,2-dimethylbutanamide
CID 79811320
2-amino-N-[(2-ethoxyphenyl)methyl]-N-methyl-2-phenylpropanamide;hydrochloride
CID 120589610

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[(2-hydroxyphenyl)methyl]-N,2-dimethylbutanamide?
The IUPAC name of 2-amino-N-[(2-hydroxyphenyl)methyl]-N,2-dimethylbutanamide (CID 79804817) is 2-amino-N-[(2-hydroxyphenyl)methyl]-N,2-dimethylbutanamide.
What is the SMILES notation for 2-amino-N-[(2-hydroxyphenyl)methyl]-N,2-dimethylbutanamide?
The canonical SMILES for 2-amino-N-[(2-hydroxyphenyl)methyl]-N,2-dimethylbutanamide is CCC(C)(N)C(=O)N(C)Cc1ccccc1O.
What is the InChIKey of 2-amino-N-[(2-hydroxyphenyl)methyl]-N,2-dimethylbutanamide?
The InChIKey is DQYRSTFFDCBGSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O2/c1-4-13(2,14)12(17)15(3)9-10-7-5-6-8-11(10)16/h5-8,16H,4,9,14H2,1-3H3.
What are the key properties of 2-amino-N-[(2-hydroxyphenyl)methyl]-N,2-dimethylbutanamide?
2-amino-N-[(2-hydroxyphenyl)methyl]-N,2-dimethylbutanamide has a molecular weight of 236.31 g/mol, XLogP of 1.48, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[(2-hydroxyphenyl)methyl]-N,2-dimethylbutanamide is sourced from PubChem (CID 79804817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).