(2S)-2-amino-N-(3-hydroxybutyl)-3-(4-hydroxyphenyl)-N-methylpropanamide

C14H22N2O3 — CID 104869224

IUPAC(2S)-2-amino-N-(3-hydroxybutyl)-3-(4-hydroxyphenyl)-N-methylpropanamide
SMILESCC(O)CCN(C)C(=O)[C@@H](N)Cc1ccc(O)cc1
InChIInChI=1S/C14H22N2O3/c1-10(17)7-8-16(2)14(19)13(15)9-11-3-5-12(18)6-4-11/h3-6,10,13,17-18H,7-9,15H2,1-2H3/t10?,13-/m0/s1
InChIKeyMUNUPZVZWMUZEO-HQVZTVAUSA-N
MW266.34 g/mol
LogP0.49
Rot. Bonds6

About (2S)-2-amino-N-(3-hydroxybutyl)-3-(4-hydroxyphenyl)-N-methylpropanamide

(2S)-2-amino-N-(3-hydroxybutyl)-3-(4-hydroxyphenyl)-N-methylpropanamide (PubChem CID 104869224) has the molecular formula C14H22N2O3 and a molecular weight of 266.34 g/mol. Its IUPAC name is (2S)-2-amino-N-(3-hydroxybutyl)-3-(4-hydroxyphenyl)-N-methylpropanamide.

Molecular Properties

Compound Name(2S)-2-amino-N-(3-hydroxybutyl)-3-(4-hydroxyphenyl)-N-methylpropanamide
PubChem CID104869224
Molecular FormulaC14H22N2O3
Molecular Weight266.34 g/mol
Exact Mass266.16
IUPAC Name(2S)-2-amino-N-(3-hydroxybutyl)-3-(4-hydroxyphenyl)-N-methylpropanamide
SMILESCC(O)CCN(C)C(=O)[C@@H](N)Cc1ccc(O)cc1
InChIInChI=1S/C14H22N2O3/c1-10(17)7-8-16(2)14(19)13(15)9-11-3-5-12(18)6-4-11/h3-6,10,13,17-18H,7-9,15H2,1-2H3/t10?,13-/m0/s1
InChIKeyMUNUPZVZWMUZEO-HQVZTVAUSA-N
XLogP0.49
TPSA86.79 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.34
LogP ≤ 50.49
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-2-amino-N-(3-hydroxybutyl)-N-methyl-3-phenylpropanamide
CID 103797277
(2S)-2-amino-3-(4-hydroxyphenyl)-N-(2-hydroxypropyl)-N-methylpropanamide
CID 55060692
(2S)-2-amino-3-(4-hydroxyphenyl)-N-methyl-N-propylpropanamide
CID 61154503
(2R)-2-amino-N-butyl-3-(4-hydroxyphenyl)-N-methylpropanamide
CID 104904581
2-amino-N-(2-amino-2-oxoethyl)-3-(4-hydroxyphenyl)-N-methylpropanamide
CID 76893046
2-amino-N-(5-hydroxypentyl)-3-(4-hydroxyphenyl)-N-methylpropanamide
CID 107199354
2-amino-3-(4-hydroxyphenyl)-N-methyl-N-(2-methylbutyl)propanamide
CID 76893519
(2R)-2-amino-N-(2,2-difluoroethyl)-3-(4-hydroxyphenyl)-N-methylpropanamide
CID 104905584
2-amino-N-[2-(dimethylamino)-2-oxoethyl]-3-(4-hydroxyphenyl)-N-methylpropanamide
CID 76893468
(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
(2R)-2-amino-N-(2-hydroxy-2-methylpropyl)-3-(4-hydroxyphenyl)-N-methylpropanamide
CID 104905331

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-N-(3-hydroxybutyl)-3-(4-hydroxyphenyl)-N-methylpropanamide?
The IUPAC name of (2S)-2-amino-N-(3-hydroxybutyl)-3-(4-hydroxyphenyl)-N-methylpropanamide (CID 104869224) is (2S)-2-amino-N-(3-hydroxybutyl)-3-(4-hydroxyphenyl)-N-methylpropanamide.
What is the SMILES notation for (2S)-2-amino-N-(3-hydroxybutyl)-3-(4-hydroxyphenyl)-N-methylpropanamide?
The canonical SMILES for (2S)-2-amino-N-(3-hydroxybutyl)-3-(4-hydroxyphenyl)-N-methylpropanamide is CC(O)CCN(C)C(=O)[C@@H](N)Cc1ccc(O)cc1.
What is the InChIKey of (2S)-2-amino-N-(3-hydroxybutyl)-3-(4-hydroxyphenyl)-N-methylpropanamide?
The InChIKey is MUNUPZVZWMUZEO-HQVZTVAUSA-N. The full InChI is InChI=1S/C14H22N2O3/c1-10(17)7-8-16(2)14(19)13(15)9-11-3-5-12(18)6-4-11/h3-6,10,13,17-18H,7-9,15H2,1-2H3/t10?,13-/m0/s1.
What are the key properties of (2S)-2-amino-N-(3-hydroxybutyl)-3-(4-hydroxyphenyl)-N-methylpropanamide?
(2S)-2-amino-N-(3-hydroxybutyl)-3-(4-hydroxyphenyl)-N-methylpropanamide has a molecular weight of 266.34 g/mol, XLogP of 0.49, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-N-(3-hydroxybutyl)-3-(4-hydroxyphenyl)-N-methylpropanamide is sourced from PubChem (CID 104869224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).