2-amino-N-(2-hydroxypentyl)-3-(4-hydroxyphenyl)propanamide

C14H22N2O3 — CID 114350775

IUPAC2-amino-N-(2-hydroxypentyl)-3-(4-hydroxyphenyl)propanamide
SMILESCCCC(O)CNC(=O)C(N)Cc1ccc(O)cc1
InChIInChI=1S/C14H22N2O3/c1-2-3-12(18)9-16-14(19)13(15)8-10-4-6-11(17)7-5-10/h4-7,12-13,17-18H,2-3,8-9,15H2,1H3,(H,16,19)
InChIKeyUELLAZRBUDEXFN-UHFFFAOYSA-N
MW266.34 g/mol
LogP0.54
Rot. Bonds7

About 2-amino-N-(2-hydroxypentyl)-3-(4-hydroxyphenyl)propanamide

2-amino-N-(2-hydroxypentyl)-3-(4-hydroxyphenyl)propanamide (PubChem CID 114350775) has the molecular formula C14H22N2O3 and a molecular weight of 266.34 g/mol. Its IUPAC name is 2-amino-N-(2-hydroxypentyl)-3-(4-hydroxyphenyl)propanamide.

Molecular Properties

Compound Name2-amino-N-(2-hydroxypentyl)-3-(4-hydroxyphenyl)propanamide
PubChem CID114350775
Molecular FormulaC14H22N2O3
Molecular Weight266.34 g/mol
Exact Mass266.16
IUPAC Name2-amino-N-(2-hydroxypentyl)-3-(4-hydroxyphenyl)propanamide
SMILESCCCC(O)CNC(=O)C(N)Cc1ccc(O)cc1
InChIInChI=1S/C14H22N2O3/c1-2-3-12(18)9-16-14(19)13(15)8-10-4-6-11(17)7-5-10/h4-7,12-13,17-18H,2-3,8-9,15H2,1H3,(H,16,19)
InChIKeyUELLAZRBUDEXFN-UHFFFAOYSA-N
XLogP0.54
TPSA95.58 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds7
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

(2R)-2-amino-N-(2-hydroxypentyl)-3-phenylpropanamide
CID 103796801
(2R)-2-amino-N-(2,3-dihydroxypropyl)-3-(4-hydroxyphenyl)propanamide
CID 104905303
2-[[[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]amino]methyl]butanoic acid
CID 65224541
2-amino-N-(2-ethyl-4-hydroxybutyl)-3-(4-hydroxyphenyl)propanamide
CID 114350596
(2R)-2-amino-N-(2,3-dimethylbutyl)-3-(4-hydroxyphenyl)propanamide
CID 104905233
(2S)-2-amino-N-(2-hydroxyethyl)-3-(4-hydroxyphenyl)propanamide
CID 61155006
(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
3-[[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]amino]-2-methoxypropanoic acid
CID 106108909
1-(2-hydroxypentyl)-3-[4-(4-hydroxyphenyl)butan-2-yl]urea
CID 111337923
(2S)-2-amino-3-(4-hydroxyphenyl)-N-octan-4-ylpropanamide
CID 106025742
2-amino-N-(2-hydroxy-2-methylpentyl)-3-(4-hydroxyphenyl)propanamide
CID 106292177

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(2-hydroxypentyl)-3-(4-hydroxyphenyl)propanamide?
The IUPAC name of 2-amino-N-(2-hydroxypentyl)-3-(4-hydroxyphenyl)propanamide (CID 114350775) is 2-amino-N-(2-hydroxypentyl)-3-(4-hydroxyphenyl)propanamide.
What is the SMILES notation for 2-amino-N-(2-hydroxypentyl)-3-(4-hydroxyphenyl)propanamide?
The canonical SMILES for 2-amino-N-(2-hydroxypentyl)-3-(4-hydroxyphenyl)propanamide is CCCC(O)CNC(=O)C(N)Cc1ccc(O)cc1.
What is the InChIKey of 2-amino-N-(2-hydroxypentyl)-3-(4-hydroxyphenyl)propanamide?
The InChIKey is UELLAZRBUDEXFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O3/c1-2-3-12(18)9-16-14(19)13(15)8-10-4-6-11(17)7-5-10/h4-7,12-13,17-18H,2-3,8-9,15H2,1H3,(H,16,19).
What are the key properties of 2-amino-N-(2-hydroxypentyl)-3-(4-hydroxyphenyl)propanamide?
2-amino-N-(2-hydroxypentyl)-3-(4-hydroxyphenyl)propanamide has a molecular weight of 266.34 g/mol, XLogP of 0.54, 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-hydroxypentyl)-3-(4-hydroxyphenyl)propanamide is sourced from PubChem (CID 114350775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).