2-amino-N-[1-(2-hydroxyphenyl)ethyl]-N,3,3-trimethylbutanamide

C15H24N2O2 — CID 76894927

IUPAC2-amino-N-[1-(2-hydroxyphenyl)ethyl]-N,3,3-trimethylbutanamide
SMILESCC(c1ccccc1O)N(C)C(=O)C(N)C(C)(C)C
InChIInChI=1S/C15H24N2O2/c1-10(11-8-6-7-9-12(11)18)17(5)14(19)13(16)15(2,3)4/h6-10,13,18H,16H2,1-5H3
InChIKeyLVWJBOBBLZEBQC-UHFFFAOYSA-N
MW264.37 g/mol
LogP2.29
Rot. Bonds3

About 2-amino-N-[1-(2-hydroxyphenyl)ethyl]-N,3,3-trimethylbutanamide

2-amino-N-[1-(2-hydroxyphenyl)ethyl]-N,3,3-trimethylbutanamide (PubChem CID 76894927) has the molecular formula C15H24N2O2 and a molecular weight of 264.37 g/mol. Its IUPAC name is 2-amino-N-[1-(2-hydroxyphenyl)ethyl]-N,3,3-trimethylbutanamide.

Molecular Properties

Compound Name2-amino-N-[1-(2-hydroxyphenyl)ethyl]-N,3,3-trimethylbutanamide
PubChem CID76894927
Molecular FormulaC15H24N2O2
Molecular Weight264.37 g/mol
Exact Mass264.18
IUPAC Name2-amino-N-[1-(2-hydroxyphenyl)ethyl]-N,3,3-trimethylbutanamide
SMILESCC(c1ccccc1O)N(C)C(=O)C(N)C(C)(C)C
InChIInChI=1S/C15H24N2O2/c1-10(11-8-6-7-9-12(11)18)17(5)14(19)13(16)15(2,3)4/h6-10,13,18H,16H2,1-5H3
InChIKeyLVWJBOBBLZEBQC-UHFFFAOYSA-N
XLogP2.29
TPSA66.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.37
LogP ≤ 52.29
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

(2R)-2-amino-N-[1-(2-hydroxyphenyl)ethyl]-N,3,3-trimethylbutanamide
CID 103929396
(2S)-2-amino-N-[1-(2-hydroxyphenyl)ethyl]-N-methylbutanamide
CID 79024859
2-amino-N-[1-(2-hydroxyphenyl)ethyl]-N-methyl-2-phenylacetamide
CID 60953156
(2R)-2-amino-N-[1-(2,4-dichlorophenyl)ethyl]-N,3,3-trimethylbutanamide
CID 103929187
(2S)-2-amino-N,3,3-trimethyl-N-(1-pyridin-4-ylethyl)butanamide
CID 61163259
(2R)-2-amino-N-[1-(4-chlorophenyl)ethyl]-N,3,3-trimethylbutanamide
CID 103929186
5-amino-N-[1-(2-hydroxyphenyl)ethyl]-N,2-dimethylpentanamide
CID 104684604
1-amino-N-[1-(2-hydroxyphenyl)ethyl]-N-methylcyclopentane-1-carboxamide
CID 54874342
methyl N-[1-(2-hydroxyphenyl)ethyl]-N-methylcarbamate
CID 61044422
2-hydroxy-N-[1-(2-hydroxyphenyl)ethyl]-N-methylbenzamide
CID 61042835
6-amino-N-[1-(2-hydroxyphenyl)ethyl]-N,4,4-trimethylhexanamide
CID 65292237
4-amino-N-[1-(2-hydroxyphenyl)ethyl]-N,3-dimethylbutanamide
CID 81087863

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[1-(2-hydroxyphenyl)ethyl]-N,3,3-trimethylbutanamide?
The IUPAC name of 2-amino-N-[1-(2-hydroxyphenyl)ethyl]-N,3,3-trimethylbutanamide (CID 76894927) is 2-amino-N-[1-(2-hydroxyphenyl)ethyl]-N,3,3-trimethylbutanamide.
What is the SMILES notation for 2-amino-N-[1-(2-hydroxyphenyl)ethyl]-N,3,3-trimethylbutanamide?
The canonical SMILES for 2-amino-N-[1-(2-hydroxyphenyl)ethyl]-N,3,3-trimethylbutanamide is CC(c1ccccc1O)N(C)C(=O)C(N)C(C)(C)C.
What is the InChIKey of 2-amino-N-[1-(2-hydroxyphenyl)ethyl]-N,3,3-trimethylbutanamide?
The InChIKey is LVWJBOBBLZEBQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O2/c1-10(11-8-6-7-9-12(11)18)17(5)14(19)13(16)15(2,3)4/h6-10,13,18H,16H2,1-5H3.
What are the key properties of 2-amino-N-[1-(2-hydroxyphenyl)ethyl]-N,3,3-trimethylbutanamide?
2-amino-N-[1-(2-hydroxyphenyl)ethyl]-N,3,3-trimethylbutanamide has a molecular weight of 264.37 g/mol, XLogP of 2.29, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[1-(2-hydroxyphenyl)ethyl]-N,3,3-trimethylbutanamide is sourced from PubChem (CID 76894927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).