2-amino-N-(5-hydroxypentyl)-3-(4-hydroxyphenyl)-N-methylpropanamide

C15H24N2O3 — CID 107199354

IUPAC2-amino-N-(5-hydroxypentyl)-3-(4-hydroxyphenyl)-N-methylpropanamide
SMILESCN(CCCCCO)C(=O)C(N)Cc1ccc(O)cc1
InChIInChI=1S/C15H24N2O3/c1-17(9-3-2-4-10-18)15(20)14(16)11-12-5-7-13(19)8-6-12/h5-8,14,18-19H,2-4,9-11,16H2,1H3
InChIKeyIBYPYIDPGYEOEO-UHFFFAOYSA-N
MW280.37 g/mol
LogP0.88
Rot. Bonds8

About 2-amino-N-(5-hydroxypentyl)-3-(4-hydroxyphenyl)-N-methylpropanamide

2-amino-N-(5-hydroxypentyl)-3-(4-hydroxyphenyl)-N-methylpropanamide (PubChem CID 107199354) has the molecular formula C15H24N2O3 and a molecular weight of 280.37 g/mol. Its IUPAC name is 2-amino-N-(5-hydroxypentyl)-3-(4-hydroxyphenyl)-N-methylpropanamide.

Molecular Properties

Compound Name2-amino-N-(5-hydroxypentyl)-3-(4-hydroxyphenyl)-N-methylpropanamide
PubChem CID107199354
Molecular FormulaC15H24N2O3
Molecular Weight280.37 g/mol
Exact Mass280.18
IUPAC Name2-amino-N-(5-hydroxypentyl)-3-(4-hydroxyphenyl)-N-methylpropanamide
SMILESCN(CCCCCO)C(=O)C(N)Cc1ccc(O)cc1
InChIInChI=1S/C15H24N2O3/c1-17(9-3-2-4-10-18)15(20)14(16)11-12-5-7-13(19)8-6-12/h5-8,14,18-19H,2-4,9-11,16H2,1H3
InChIKeyIBYPYIDPGYEOEO-UHFFFAOYSA-N
XLogP0.88
TPSA86.79 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.37
LogP ≤ 50.88
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

(2R)-2-amino-N-butyl-3-(4-hydroxyphenyl)-N-methylpropanamide
CID 104904581
(2S)-2-amino-3-(4-hydroxyphenyl)-N-methyl-N-propylpropanamide
CID 61154503
(2S)-2-amino-N-(3-hydroxybutyl)-3-(4-hydroxyphenyl)-N-methylpropanamide
CID 104869224
2-amino-3-(4-hydroxyphenyl)-N-(3-hydroxypropyl)-N-propan-2-ylpropanamide
CID 76893980
(2S)-2-amino-3-(4-hydroxyphenyl)-N-(2-hydroxypropyl)-N-methylpropanamide
CID 55060692
2-amino-N-(2-amino-2-oxoethyl)-3-(4-hydroxyphenyl)-N-methylpropanamide
CID 76893046
2-amino-N-[2-(dimethylamino)-2-oxoethyl]-3-(4-hydroxyphenyl)-N-methylpropanamide
CID 76893468
(2R)-2-amino-N-(2,2-difluoroethyl)-3-(4-hydroxyphenyl)-N-methylpropanamide
CID 104905584
6-[(2-amino-3-phenylpropanoyl)-methylamino]hexanoic acid
CID 70550691
(2R)-2-amino-3-(4-hydroxyphenyl)-N-methyl-N-(2-pyrrolidin-1-ylethyl)propanamide
CID 104905132
(2S)-2-amino-N-(2-hydroxy-2-methylpropyl)-3-(4-hydroxyphenyl)-N-methylpropanamide
CID 79379558
(2S)-2-amino-N-(2-hydroxyethyl)-3-(4-hydroxyphenyl)-N-propan-2-ylpropanamide
CID 61156291

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(5-hydroxypentyl)-3-(4-hydroxyphenyl)-N-methylpropanamide?
The IUPAC name of 2-amino-N-(5-hydroxypentyl)-3-(4-hydroxyphenyl)-N-methylpropanamide (CID 107199354) is 2-amino-N-(5-hydroxypentyl)-3-(4-hydroxyphenyl)-N-methylpropanamide.
What is the SMILES notation for 2-amino-N-(5-hydroxypentyl)-3-(4-hydroxyphenyl)-N-methylpropanamide?
The canonical SMILES for 2-amino-N-(5-hydroxypentyl)-3-(4-hydroxyphenyl)-N-methylpropanamide is CN(CCCCCO)C(=O)C(N)Cc1ccc(O)cc1.
What is the InChIKey of 2-amino-N-(5-hydroxypentyl)-3-(4-hydroxyphenyl)-N-methylpropanamide?
The InChIKey is IBYPYIDPGYEOEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O3/c1-17(9-3-2-4-10-18)15(20)14(16)11-12-5-7-13(19)8-6-12/h5-8,14,18-19H,2-4,9-11,16H2,1H3.
What are the key properties of 2-amino-N-(5-hydroxypentyl)-3-(4-hydroxyphenyl)-N-methylpropanamide?
2-amino-N-(5-hydroxypentyl)-3-(4-hydroxyphenyl)-N-methylpropanamide has a molecular weight of 280.37 g/mol, XLogP of 0.88, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-(5-hydroxypentyl)-3-(4-hydroxyphenyl)-N-methylpropanamide is sourced from PubChem (CID 107199354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).