(2S)-2-amino-3-hydroxy-2-methyl-N-[4-(4-methylphenoxy)phenyl]propanamide

C17H20N2O3 — CID 143188431

IUPAC(2S)-2-amino-3-hydroxy-2-methyl-N-[4-(4-methylphenoxy)phenyl]propanamide
SMILESCc1ccc(Oc2ccc(NC(=O)[C@@](C)(N)CO)cc2)cc1
InChIInChI=1S/C17H20N2O3/c1-12-3-7-14(8-4-12)22-15-9-5-13(6-10-15)19-16(21)17(2,18)11-20/h3-10,20H,11,18H2,1-2H3,(H,19,21)/t17-/m0/s1
InChIKeyCVRITKQPXMPOPO-KRWDZBQOSA-N
MW300.36 g/mol
LogP2.44
Rot. Bonds5

About (2S)-2-amino-3-hydroxy-2-methyl-N-[4-(4-methylphenoxy)phenyl]propanamide

(2S)-2-amino-3-hydroxy-2-methyl-N-[4-(4-methylphenoxy)phenyl]propanamide (PubChem CID 143188431) has the molecular formula C17H20N2O3 and a molecular weight of 300.36 g/mol. Its IUPAC name is (2S)-2-amino-3-hydroxy-2-methyl-N-[4-(4-methylphenoxy)phenyl]propanamide.

Molecular Properties

Compound Name(2S)-2-amino-3-hydroxy-2-methyl-N-[4-(4-methylphenoxy)phenyl]propanamide
PubChem CID143188431
Molecular FormulaC17H20N2O3
Molecular Weight300.36 g/mol
Exact Mass300.15
IUPAC Name(2S)-2-amino-3-hydroxy-2-methyl-N-[4-(4-methylphenoxy)phenyl]propanamide
SMILESCc1ccc(Oc2ccc(NC(=O)[C@@](C)(N)CO)cc2)cc1
InChIInChI=1S/C17H20N2O3/c1-12-3-7-14(8-4-12)22-15-9-5-13(6-10-15)19-16(21)17(2,18)11-20/h3-10,20H,11,18H2,1-2H3,(H,19,21)/t17-/m0/s1
InChIKeyCVRITKQPXMPOPO-KRWDZBQOSA-N
XLogP2.44
TPSA84.58 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.36
LogP ≤ 52.44
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-amino-3-hydroxy-N-[4-(3-methoxyphenoxy)phenyl]-2-methylpropanamide
CID 69268031
(2S)-2-amino-3-(4-ethylphenoxy)-N-[4-(4-ethylphenoxy)phenyl]-2-methylpropanamide
CID 58907580
2-amino-N-[4-(3-butoxyphenyl)phenyl]-3-hydroxy-2-methylpropanamide
CID 73021177
(2S)-2-amino-3-hydroxy-N-[4-[4-(4-methoxyphenyl)butoxy]phenyl]-2-methylpropanamide
CID 11639348
2-(methylamino)-N-[4-(4-methylphenoxy)phenyl]acetamide
CID 18084877
2-amino-3-hydroxy-2-methyl-N-[4-[2-[4-[4-(trifluoromethyl)phenyl]phenyl]ethoxy]phenyl]propanamide
CID 69266314
(2S)-2-hydroxy-2-methyl-3-(4-methylphenoxy)-N-(4-methylphenyl)propanamide
CID 58594527
2-hydroxy-2-methyl-3-(4-methylphenoxy)-N-(4-methylphenyl)propanamide
CID 23596876
N-(1-acetamidoethylidene)-4-[(2-amino-3-hydroxy-2-methylpropanoyl)amino]benzamide
CID 137415409
2-amino-N-(4-methoxyphenyl)-2-methylpropanamide;hydrochloride
CID 56832266
(2S)-2-amino-N-[4-[2-(3,4-dimethoxyphenyl)ethoxy]phenyl]-3-hydroxy-2-methylpropanamide
CID 11610457
N-[4-(4-ethoxyphenoxy)phenyl]-2,2-dimethylpropanamide
CID 26242416

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-3-hydroxy-2-methyl-N-[4-(4-methylphenoxy)phenyl]propanamide?
The IUPAC name of (2S)-2-amino-3-hydroxy-2-methyl-N-[4-(4-methylphenoxy)phenyl]propanamide (CID 143188431) is (2S)-2-amino-3-hydroxy-2-methyl-N-[4-(4-methylphenoxy)phenyl]propanamide.
What is the SMILES notation for (2S)-2-amino-3-hydroxy-2-methyl-N-[4-(4-methylphenoxy)phenyl]propanamide?
The canonical SMILES for (2S)-2-amino-3-hydroxy-2-methyl-N-[4-(4-methylphenoxy)phenyl]propanamide is Cc1ccc(Oc2ccc(NC(=O)[C@@](C)(N)CO)cc2)cc1.
What is the InChIKey of (2S)-2-amino-3-hydroxy-2-methyl-N-[4-(4-methylphenoxy)phenyl]propanamide?
The InChIKey is CVRITKQPXMPOPO-KRWDZBQOSA-N. The full InChI is InChI=1S/C17H20N2O3/c1-12-3-7-14(8-4-12)22-15-9-5-13(6-10-15)19-16(21)17(2,18)11-20/h3-10,20H,11,18H2,1-2H3,(H,19,21)/t17-/m0/s1.
What are the key properties of (2S)-2-amino-3-hydroxy-2-methyl-N-[4-(4-methylphenoxy)phenyl]propanamide?
(2S)-2-amino-3-hydroxy-2-methyl-N-[4-(4-methylphenoxy)phenyl]propanamide has a molecular weight of 300.36 g/mol, XLogP of 2.44, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-3-hydroxy-2-methyl-N-[4-(4-methylphenoxy)phenyl]propanamide is sourced from PubChem (CID 143188431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).