2-amino-N-(2-ethyl-4-hydroxybutyl)-3-(4-hydroxyphenyl)propanamide

C15H24N2O3 — CID 114350596

IUPAC2-amino-N-(2-ethyl-4-hydroxybutyl)-3-(4-hydroxyphenyl)propanamide
SMILESCCC(CCO)CNC(=O)C(N)Cc1ccc(O)cc1
InChIInChI=1S/C15H24N2O3/c1-2-11(7-8-18)10-17-15(20)14(16)9-12-3-5-13(19)6-4-12/h3-6,11,14,18-19H,2,7-10,16H2,1H3,(H,17,20)
InChIKeyVYOYVKNTKSVKRX-UHFFFAOYSA-N
MW280.37 g/mol
LogP0.79
Rot. Bonds8

About 2-amino-N-(2-ethyl-4-hydroxybutyl)-3-(4-hydroxyphenyl)propanamide

2-amino-N-(2-ethyl-4-hydroxybutyl)-3-(4-hydroxyphenyl)propanamide (PubChem CID 114350596) has the molecular formula C15H24N2O3 and a molecular weight of 280.37 g/mol. Its IUPAC name is 2-amino-N-(2-ethyl-4-hydroxybutyl)-3-(4-hydroxyphenyl)propanamide.

Molecular Properties

Compound Name2-amino-N-(2-ethyl-4-hydroxybutyl)-3-(4-hydroxyphenyl)propanamide
PubChem CID114350596
Molecular FormulaC15H24N2O3
Molecular Weight280.37 g/mol
Exact Mass280.18
IUPAC Name2-amino-N-(2-ethyl-4-hydroxybutyl)-3-(4-hydroxyphenyl)propanamide
SMILESCCC(CCO)CNC(=O)C(N)Cc1ccc(O)cc1
InChIInChI=1S/C15H24N2O3/c1-2-11(7-8-18)10-17-15(20)14(16)9-12-3-5-13(19)6-4-12/h3-6,11,14,18-19H,2,7-10,16H2,1H3,(H,17,20)
InChIKeyVYOYVKNTKSVKRX-UHFFFAOYSA-N
XLogP0.79
TPSA95.58 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.37
LogP ≤ 50.79
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-2-amino-N-(2-ethyl-4-hydroxybutyl)-3-phenylpropanamide;hydrochloride
CID 119327618
2-[[[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]amino]methyl]butanoic acid
CID 65224541
(2S)-2-amino-N-(2-hydroxyethyl)-3-(4-hydroxyphenyl)propanamide
CID 61155006
2-amino-N-(2-hydroxypentyl)-3-(4-hydroxyphenyl)propanamide
CID 114350775
(2R)-2-amino-N-(2,3-dihydroxypropyl)-3-(4-hydroxyphenyl)propanamide
CID 104905303
(2R)-2-amino-N-(2,3-dimethylbutyl)-3-(4-hydroxyphenyl)propanamide
CID 104905233
(2S)-2-amino-3-(4-hydroxyphenyl)-N-(2-methylsulfanylpropyl)propanamide
CID 104861427
5-[[(2R)-2-amino-3-(4-hydroxyphenyl)propanoyl]amino]-4-methylpentanoic acid
CID 104905456
(2R)-2-amino-N-[2-(2-hydroxyethoxy)ethyl]-3-(4-hydroxyphenyl)propanamide
CID 104904975
(2R)-2-amino-N-(2-ethyl-4-hydroxybutyl)-4-methylpentanamide
CID 104903746
(2R)-2-amino-N-(5-hydroxy-4-methylpentyl)-3-(4-hydroxyphenyl)propanamide
CID 106161295
3-[[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]amino]-2-methoxypropanoic acid
CID 106108909

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(2-ethyl-4-hydroxybutyl)-3-(4-hydroxyphenyl)propanamide?
The IUPAC name of 2-amino-N-(2-ethyl-4-hydroxybutyl)-3-(4-hydroxyphenyl)propanamide (CID 114350596) is 2-amino-N-(2-ethyl-4-hydroxybutyl)-3-(4-hydroxyphenyl)propanamide.
What is the SMILES notation for 2-amino-N-(2-ethyl-4-hydroxybutyl)-3-(4-hydroxyphenyl)propanamide?
The canonical SMILES for 2-amino-N-(2-ethyl-4-hydroxybutyl)-3-(4-hydroxyphenyl)propanamide is CCC(CCO)CNC(=O)C(N)Cc1ccc(O)cc1.
What is the InChIKey of 2-amino-N-(2-ethyl-4-hydroxybutyl)-3-(4-hydroxyphenyl)propanamide?
The InChIKey is VYOYVKNTKSVKRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O3/c1-2-11(7-8-18)10-17-15(20)14(16)9-12-3-5-13(19)6-4-12/h3-6,11,14,18-19H,2,7-10,16H2,1H3,(H,17,20).
What are the key properties of 2-amino-N-(2-ethyl-4-hydroxybutyl)-3-(4-hydroxyphenyl)propanamide?
2-amino-N-(2-ethyl-4-hydroxybutyl)-3-(4-hydroxyphenyl)propanamide has a molecular weight of 280.37 g/mol, XLogP of 0.79, 8 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-(2-ethyl-4-hydroxybutyl)-3-(4-hydroxyphenyl)propanamide is sourced from PubChem (CID 114350596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).