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

C14H22N2O2 — CID 76893024

IUPAC2-amino-N-[1-(3-hydroxyphenyl)ethyl]-3,3-dimethylbutanamide
SMILESCC(NC(=O)C(N)C(C)(C)C)c1cccc(O)c1
InChIInChI=1S/C14H22N2O2/c1-9(10-6-5-7-11(17)8-10)16-13(18)12(15)14(2,3)4/h5-9,12,17H,15H2,1-4H3,(H,16,18)
InChIKeyNGXVAEMBHJPGQT-UHFFFAOYSA-N
MW250.34 g/mol
LogP1.94
Rot. Bonds3

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

2-amino-N-[1-(3-hydroxyphenyl)ethyl]-3,3-dimethylbutanamide (PubChem CID 76893024) has the molecular formula C14H22N2O2 and a molecular weight of 250.34 g/mol. Its IUPAC name is 2-amino-N-[1-(3-hydroxyphenyl)ethyl]-3,3-dimethylbutanamide.

Molecular Properties

Compound Name2-amino-N-[1-(3-hydroxyphenyl)ethyl]-3,3-dimethylbutanamide
PubChem CID76893024
Molecular FormulaC14H22N2O2
Molecular Weight250.34 g/mol
Exact Mass250.17
IUPAC Name2-amino-N-[1-(3-hydroxyphenyl)ethyl]-3,3-dimethylbutanamide
SMILESCC(NC(=O)C(N)C(C)(C)C)c1cccc(O)c1
InChIInChI=1S/C14H22N2O2/c1-9(10-6-5-7-11(17)8-10)16-13(18)12(15)14(2,3)4/h5-9,12,17H,15H2,1-4H3,(H,16,18)
InChIKeyNGXVAEMBHJPGQT-UHFFFAOYSA-N
XLogP1.94
TPSA75.35 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.34
LogP ≤ 51.94
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-2-amino-N-[1-(3-hydroxyphenyl)ethyl]-3,3-dimethylbutanamide
CID 113353325
(2S)-2-amino-N-[1-(3-hydroxyphenyl)ethyl]-3-methylbutanamide
CID 61153949
2-amino-N-[1-(3-fluorophenyl)ethyl]-3,3-dimethylbutanamide
CID 76897375
2-amino-N-[(1S)-1-(3-chlorophenyl)ethyl]-3,3-dimethylbutanamide
CID 113353557
(2S)-2-amino-3,3-dimethyl-N-[1-[3-(trifluoromethyl)phenyl]ethyl]butanamide
CID 61180251
(2S)-2-amino-N-[1-(3-hydroxyphenyl)ethyl]butanamide
CID 79025425
(2R)-2-amino-N-[1-(4-tert-butylphenyl)ethyl]-3,3-dimethylbutanamide
CID 103928603
[(1S)-1-(3-hydroxyphenyl)ethyl]urea
CID 130686101
(2S)-2-amino-3,3-dimethyl-N-[1-(4-propan-2-ylphenyl)ethyl]butanamide
CID 61178572
(2R)-2-amino-3,3-dimethyl-N-(1-pyridin-3-ylethyl)butanamide
CID 103928477
(2S)-2-amino-N-[1-(3,4-difluorophenyl)ethyl]-3,3-dimethylbutanamide;hydrochloride
CID 119686370
(2S)-2-amino-3,3-dimethyl-N-[(1S)-1-(4-methylphenyl)ethyl]butanamide
CID 81356570

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[1-(3-hydroxyphenyl)ethyl]-3,3-dimethylbutanamide?
The IUPAC name of 2-amino-N-[1-(3-hydroxyphenyl)ethyl]-3,3-dimethylbutanamide (CID 76893024) is 2-amino-N-[1-(3-hydroxyphenyl)ethyl]-3,3-dimethylbutanamide.
What is the SMILES notation for 2-amino-N-[1-(3-hydroxyphenyl)ethyl]-3,3-dimethylbutanamide?
The canonical SMILES for 2-amino-N-[1-(3-hydroxyphenyl)ethyl]-3,3-dimethylbutanamide is CC(NC(=O)C(N)C(C)(C)C)c1cccc(O)c1.
What is the InChIKey of 2-amino-N-[1-(3-hydroxyphenyl)ethyl]-3,3-dimethylbutanamide?
The InChIKey is NGXVAEMBHJPGQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O2/c1-9(10-6-5-7-11(17)8-10)16-13(18)12(15)14(2,3)4/h5-9,12,17H,15H2,1-4H3,(H,16,18).
What are the key properties of 2-amino-N-[1-(3-hydroxyphenyl)ethyl]-3,3-dimethylbutanamide?
2-amino-N-[1-(3-hydroxyphenyl)ethyl]-3,3-dimethylbutanamide has a molecular weight of 250.34 g/mol, XLogP of 1.94, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[1-(3-hydroxyphenyl)ethyl]-3,3-dimethylbutanamide is sourced from PubChem (CID 76893024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).