2-amino-N-(4-hydroxy-2-methylbutan-2-yl)-3-(4-hydroxyphenyl)propanamide

C14H22N2O3 — CID 114350791

IUPAC2-amino-N-(4-hydroxy-2-methylbutan-2-yl)-3-(4-hydroxyphenyl)propanamide
SMILESCC(C)(CCO)NC(=O)C(N)Cc1ccc(O)cc1
InChIInChI=1S/C14H22N2O3/c1-14(2,7-8-17)16-13(19)12(15)9-10-3-5-11(18)6-4-10/h3-6,12,17-18H,7-9,15H2,1-2H3,(H,16,19)
InChIKeyHCWTVGPGVQPCQN-UHFFFAOYSA-N
MW266.34 g/mol
LogP0.54
Rot. Bonds6

About 2-amino-N-(4-hydroxy-2-methylbutan-2-yl)-3-(4-hydroxyphenyl)propanamide

2-amino-N-(4-hydroxy-2-methylbutan-2-yl)-3-(4-hydroxyphenyl)propanamide (PubChem CID 114350791) has the molecular formula C14H22N2O3 and a molecular weight of 266.34 g/mol. Its IUPAC name is 2-amino-N-(4-hydroxy-2-methylbutan-2-yl)-3-(4-hydroxyphenyl)propanamide.

Molecular Properties

Compound Name2-amino-N-(4-hydroxy-2-methylbutan-2-yl)-3-(4-hydroxyphenyl)propanamide
PubChem CID114350791
Molecular FormulaC14H22N2O3
Molecular Weight266.34 g/mol
Exact Mass266.16
IUPAC Name2-amino-N-(4-hydroxy-2-methylbutan-2-yl)-3-(4-hydroxyphenyl)propanamide
SMILESCC(C)(CCO)NC(=O)C(N)Cc1ccc(O)cc1
InChIInChI=1S/C14H22N2O3/c1-14(2,7-8-17)16-13(19)12(15)9-10-3-5-11(18)6-4-10/h3-6,12,17-18H,7-9,15H2,1-2H3,(H,16,19)
InChIKeyHCWTVGPGVQPCQN-UHFFFAOYSA-N
XLogP0.54
TPSA95.58 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.34
LogP ≤ 50.54
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-2-amino-N-(2-hydroxyethyl)-3-(4-hydroxyphenyl)propanamide
CID 61155006
(2S)-2-amino-N-(1-hydroxy-2-methylpropan-2-yl)-3-(4-methoxyphenyl)propanamide
CID 66750831
(2S)-2-amino-N-(4-hydroxy-2-methylbutan-2-yl)-4-phenylbutanamide
CID 104984857
methyl 2-amino-3-(4-hydroxyphenyl)propanoate
CID 144819630
3-[[(2R)-2-amino-3-(4-hydroxyphenyl)propanoyl]amino]-2,2-dimethylpropanoic acid
CID 104905430
2-amino-N-(1-hydroxy-3-methylpentan-3-yl)-3-phenylpropanamide
CID 106176498
2-amino-N-(2-hydroxy-2-methylpentyl)-3-(4-hydroxyphenyl)propanamide
CID 106292177
2-amino-1-(4-hydroxyphenyl)-4,4-dimethylpentan-3-one
CID 70878581
2-amino-3-(4-hydroxyphenyl)-N-(4,4,4-trifluorobutyl)propanamide
CID 114350635
(2R)-2-amino-N-[2-(2-hydroxyethoxy)ethyl]-3-(4-hydroxyphenyl)propanamide
CID 104904975
(2S)-2-amino-N-(4-hydroxy-2-methylbutan-2-yl)-4-methylpentanamide
CID 104873418
2-[2-[2-[[2-amino-3-(4-hydroxyphenyl)propanoyl]amino]propanoylamino]propanoylamino]propanoic acid
CID 19950021

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(4-hydroxy-2-methylbutan-2-yl)-3-(4-hydroxyphenyl)propanamide?
The IUPAC name of 2-amino-N-(4-hydroxy-2-methylbutan-2-yl)-3-(4-hydroxyphenyl)propanamide (CID 114350791) is 2-amino-N-(4-hydroxy-2-methylbutan-2-yl)-3-(4-hydroxyphenyl)propanamide.
What is the SMILES notation for 2-amino-N-(4-hydroxy-2-methylbutan-2-yl)-3-(4-hydroxyphenyl)propanamide?
The canonical SMILES for 2-amino-N-(4-hydroxy-2-methylbutan-2-yl)-3-(4-hydroxyphenyl)propanamide is CC(C)(CCO)NC(=O)C(N)Cc1ccc(O)cc1.
What is the InChIKey of 2-amino-N-(4-hydroxy-2-methylbutan-2-yl)-3-(4-hydroxyphenyl)propanamide?
The InChIKey is HCWTVGPGVQPCQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O3/c1-14(2,7-8-17)16-13(19)12(15)9-10-3-5-11(18)6-4-10/h3-6,12,17-18H,7-9,15H2,1-2H3,(H,16,19).
What are the key properties of 2-amino-N-(4-hydroxy-2-methylbutan-2-yl)-3-(4-hydroxyphenyl)propanamide?
2-amino-N-(4-hydroxy-2-methylbutan-2-yl)-3-(4-hydroxyphenyl)propanamide has a molecular weight of 266.34 g/mol, XLogP of 0.54, 6 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-(4-hydroxy-2-methylbutan-2-yl)-3-(4-hydroxyphenyl)propanamide is sourced from PubChem (CID 114350791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).