(2R)-2-amino-N-(2-hydroxy-2-methylpropyl)-3-(4-hydroxyphenyl)-N-methylpropanamide

C14H22N2O3 — CID 104905331

IUPAC(2R)-2-amino-N-(2-hydroxy-2-methylpropyl)-3-(4-hydroxyphenyl)-N-methylpropanamide
SMILESCN(CC(C)(C)O)C(=O)[C@H](N)Cc1ccc(O)cc1
InChIInChI=1S/C14H22N2O3/c1-14(2,19)9-16(3)13(18)12(15)8-10-4-6-11(17)7-5-10/h4-7,12,17,19H,8-9,15H2,1-3H3/t12-/m1/s1
InChIKeyRARBWGBHPNMEKT-GFCCVEGCSA-N
MW266.34 g/mol
LogP0.49
Rot. Bonds5

About (2R)-2-amino-N-(2-hydroxy-2-methylpropyl)-3-(4-hydroxyphenyl)-N-methylpropanamide

(2R)-2-amino-N-(2-hydroxy-2-methylpropyl)-3-(4-hydroxyphenyl)-N-methylpropanamide (PubChem CID 104905331) has the molecular formula C14H22N2O3 and a molecular weight of 266.34 g/mol. Its IUPAC name is (2R)-2-amino-N-(2-hydroxy-2-methylpropyl)-3-(4-hydroxyphenyl)-N-methylpropanamide.

Molecular Properties

Compound Name(2R)-2-amino-N-(2-hydroxy-2-methylpropyl)-3-(4-hydroxyphenyl)-N-methylpropanamide
PubChem CID104905331
Molecular FormulaC14H22N2O3
Molecular Weight266.34 g/mol
Exact Mass266.16
IUPAC Name(2R)-2-amino-N-(2-hydroxy-2-methylpropyl)-3-(4-hydroxyphenyl)-N-methylpropanamide
SMILESCN(CC(C)(C)O)C(=O)[C@H](N)Cc1ccc(O)cc1
InChIInChI=1S/C14H22N2O3/c1-14(2,19)9-16(3)13(18)12(15)8-10-4-6-11(17)7-5-10/h4-7,12,17,19H,8-9,15H2,1-3H3/t12-/m1/s1
InChIKeyRARBWGBHPNMEKT-GFCCVEGCSA-N
XLogP0.49
TPSA86.79 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
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

(2S)-2-amino-N-(2-hydroxy-2-methylpropyl)-3-(4-hydroxyphenyl)-N-methylpropanamide
CID 79379558
2-amino-N-(2-hydroxy-2-methylpropyl)-N-methyl-3-phenylpropanamide
CID 79379287
(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
(2S)-2-amino-3-(4-hydroxyphenyl)-N-methyl-N-propylpropanamide
CID 61154503
(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-N-butyl-3-(4-hydroxyphenyl)-N-methylpropanamide
CID 104904581
(2R)-2-amino-N-(1-hydroxy-2-methylpropan-2-yl)-3-(4-hydroxyphenyl)-N-methylpropanamide
CID 104905545
2-[[2-amino-3-(4-hydroxyphenyl)propanoyl]-methylamino]-2-methylpropanoic acid
CID 76950010
2-amino-3-(4-hydroxyphenyl)-N-methyl-N-[(2-methylcyclopropyl)methyl]propanamide
CID 77008821
2-amino-3-(4-hydroxyphenyl)-N-methyl-N-(2-methylbutyl)propanamide
CID 76893519

Frequently Asked Questions

What is the IUPAC name of (2R)-2-amino-N-(2-hydroxy-2-methylpropyl)-3-(4-hydroxyphenyl)-N-methylpropanamide?
The IUPAC name of (2R)-2-amino-N-(2-hydroxy-2-methylpropyl)-3-(4-hydroxyphenyl)-N-methylpropanamide (CID 104905331) is (2R)-2-amino-N-(2-hydroxy-2-methylpropyl)-3-(4-hydroxyphenyl)-N-methylpropanamide.
What is the SMILES notation for (2R)-2-amino-N-(2-hydroxy-2-methylpropyl)-3-(4-hydroxyphenyl)-N-methylpropanamide?
The canonical SMILES for (2R)-2-amino-N-(2-hydroxy-2-methylpropyl)-3-(4-hydroxyphenyl)-N-methylpropanamide is CN(CC(C)(C)O)C(=O)[C@H](N)Cc1ccc(O)cc1.
What is the InChIKey of (2R)-2-amino-N-(2-hydroxy-2-methylpropyl)-3-(4-hydroxyphenyl)-N-methylpropanamide?
The InChIKey is RARBWGBHPNMEKT-GFCCVEGCSA-N. The full InChI is InChI=1S/C14H22N2O3/c1-14(2,19)9-16(3)13(18)12(15)8-10-4-6-11(17)7-5-10/h4-7,12,17,19H,8-9,15H2,1-3H3/t12-/m1/s1.
What are the key properties of (2R)-2-amino-N-(2-hydroxy-2-methylpropyl)-3-(4-hydroxyphenyl)-N-methylpropanamide?
(2R)-2-amino-N-(2-hydroxy-2-methylpropyl)-3-(4-hydroxyphenyl)-N-methylpropanamide has a molecular weight of 266.34 g/mol, XLogP of 0.49, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-amino-N-(2-hydroxy-2-methylpropyl)-3-(4-hydroxyphenyl)-N-methylpropanamide is sourced from PubChem (CID 104905331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).