2-amino-N-(2-hydroxy-2-methylpentyl)-3-(4-hydroxyphenyl)propanamide

C15H24N2O3 — CID 106292177

IUPAC2-amino-N-(2-hydroxy-2-methylpentyl)-3-(4-hydroxyphenyl)propanamide
SMILESCCCC(C)(O)CNC(=O)C(N)Cc1ccc(O)cc1
InChIInChI=1S/C15H24N2O3/c1-3-8-15(2,20)10-17-14(19)13(16)9-11-4-6-12(18)7-5-11/h4-7,13,18,20H,3,8-10,16H2,1-2H3,(H,17,19)
InChIKeyMDUSQGZBGJPIAS-UHFFFAOYSA-N
MW280.37 g/mol
LogP0.93
Rot. Bonds7

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

2-amino-N-(2-hydroxy-2-methylpentyl)-3-(4-hydroxyphenyl)propanamide (PubChem CID 106292177) has the molecular formula C15H24N2O3 and a molecular weight of 280.37 g/mol. Its IUPAC name is 2-amino-N-(2-hydroxy-2-methylpentyl)-3-(4-hydroxyphenyl)propanamide.

Molecular Properties

Compound Name2-amino-N-(2-hydroxy-2-methylpentyl)-3-(4-hydroxyphenyl)propanamide
PubChem CID106292177
Molecular FormulaC15H24N2O3
Molecular Weight280.37 g/mol
Exact Mass280.18
IUPAC Name2-amino-N-(2-hydroxy-2-methylpentyl)-3-(4-hydroxyphenyl)propanamide
SMILESCCCC(C)(O)CNC(=O)C(N)Cc1ccc(O)cc1
InChIInChI=1S/C15H24N2O3/c1-3-8-15(2,20)10-17-14(19)13(16)9-11-4-6-12(18)7-5-11/h4-7,13,18,20H,3,8-10,16H2,1-2H3,(H,17,19)
InChIKeyMDUSQGZBGJPIAS-UHFFFAOYSA-N
XLogP0.93
TPSA95.58 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.37
LogP ≤ 50.93
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Analyze 2-amino-N-(2-hydroxy-2-methylpentyl)-3-(4-hydroxyphenyl)propanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-[[2-amino-3-(4-hydroxyphenyl)propanoyl]amino]-3-hydroxy-3-methylbutanoic acid
CID 77110984
3-[[(2R)-2-amino-3-(4-hydroxyphenyl)propanoyl]amino]-2,2-dimethylpropanoic acid
CID 104905430
(2R)-2-amino-N-[3-(dimethylamino)-2,2-dimethylpropyl]-3-(4-hydroxyphenyl)propanamide
CID 104904566
(2S)-2-amino-N-(2-hydroxyethyl)-3-(4-hydroxyphenyl)propanamide
CID 61155006
2-amino-3-(4-hydroxyphenyl)-N-(4,4,4-trifluorobutyl)propanamide
CID 114350635
2-amino-N-(2-hydroxypentyl)-3-(4-hydroxyphenyl)propanamide
CID 114350775
2-amino-N-(2-hydroxy-2,4-dimethylpentyl)-3-phenylpropanamide
CID 66174477
(2R)-2-amino-N-(2-hydroxy-2-methylpentyl)-4-methylpentanamide
CID 106292244
(2R)-2-amino-N-(3-amino-3-oxopropyl)-3-(4-hydroxyphenyl)propanamide
CID 104904759
(2S)-2-amino-N-(3-amino-3-oxopropyl)-3-(4-hydroxyphenyl)propanamide
CID 61156108
(5R)-1-(4-hydroxyphenyl)-5-methyloctane-3,5-diol
CID 71094748
2-amino-N-(4-hydroxy-2-methylbutan-2-yl)-3-(4-hydroxyphenyl)propanamide
CID 114350791

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(2-hydroxy-2-methylpentyl)-3-(4-hydroxyphenyl)propanamide?
The IUPAC name of 2-amino-N-(2-hydroxy-2-methylpentyl)-3-(4-hydroxyphenyl)propanamide (CID 106292177) is 2-amino-N-(2-hydroxy-2-methylpentyl)-3-(4-hydroxyphenyl)propanamide.
What is the SMILES notation for 2-amino-N-(2-hydroxy-2-methylpentyl)-3-(4-hydroxyphenyl)propanamide?
The canonical SMILES for 2-amino-N-(2-hydroxy-2-methylpentyl)-3-(4-hydroxyphenyl)propanamide is CCCC(C)(O)CNC(=O)C(N)Cc1ccc(O)cc1.
What is the InChIKey of 2-amino-N-(2-hydroxy-2-methylpentyl)-3-(4-hydroxyphenyl)propanamide?
The InChIKey is MDUSQGZBGJPIAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O3/c1-3-8-15(2,20)10-17-14(19)13(16)9-11-4-6-12(18)7-5-11/h4-7,13,18,20H,3,8-10,16H2,1-2H3,(H,17,19).
What are the key properties of 2-amino-N-(2-hydroxy-2-methylpentyl)-3-(4-hydroxyphenyl)propanamide?
2-amino-N-(2-hydroxy-2-methylpentyl)-3-(4-hydroxyphenyl)propanamide has a molecular weight of 280.37 g/mol, XLogP of 0.93, 7 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-(2-hydroxy-2-methylpentyl)-3-(4-hydroxyphenyl)propanamide is sourced from PubChem (CID 106292177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).