(2S)-2-(dimethylamino)-3-(4-hydroxyphenyl)propanamide

C11H16N2O2 — CID 70366423

IUPAC(2S)-2-(dimethylamino)-3-(4-hydroxyphenyl)propanamide
SMILESCN(C)[C@@H](Cc1ccc(O)cc1)C(N)=O
InChIInChI=1S/C11H16N2O2/c1-13(2)10(11(12)15)7-8-3-5-9(14)6-4-8/h3-6,10,14H,7H2,1-2H3,(H2,12,15)/t10-/m0/s1
InChIKeyKNBUOJFJEBZXMY-JTQLQIEISA-N
MW208.26 g/mol
LogP0.35
Rot. Bonds4

About (2S)-2-(dimethylamino)-3-(4-hydroxyphenyl)propanamide

(2S)-2-(dimethylamino)-3-(4-hydroxyphenyl)propanamide (PubChem CID 70366423) has the molecular formula C11H16N2O2 and a molecular weight of 208.26 g/mol. Its IUPAC name is (2S)-2-(dimethylamino)-3-(4-hydroxyphenyl)propanamide.

Molecular Properties

Compound Name(2S)-2-(dimethylamino)-3-(4-hydroxyphenyl)propanamide
PubChem CID70366423
Molecular FormulaC11H16N2O2
Molecular Weight208.26 g/mol
Exact Mass208.12
IUPAC Name(2S)-2-(dimethylamino)-3-(4-hydroxyphenyl)propanamide
SMILESCN(C)[C@@H](Cc1ccc(O)cc1)C(N)=O
InChIInChI=1S/C11H16N2O2/c1-13(2)10(11(12)15)7-8-3-5-9(14)6-4-8/h3-6,10,14H,7H2,1-2H3,(H2,12,15)/t10-/m0/s1
InChIKeyKNBUOJFJEBZXMY-JTQLQIEISA-N
XLogP0.35
TPSA66.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.26
LogP ≤ 50.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N'-[(2R)-1-amino-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]-N'-methylbutanediamide
CID 174300055
propan-2-yl (2S)-2-(dimethylamino)-3-[4-(4-hydroxyphenoxy)phenyl]propanoate
CID 54214394
(2R)-2-amino-3-(4-hydroxyphenyl)propanamide
CID 10511575
4-[2-(dimethylamino)-3-methoxybut-3-enyl]phenol
CID 22946570
4-[(2S)-2-(dimethylamino)-3-methoxybut-3-enyl]phenol
CID 59873664
2-amino-3-(4-hydroxyphenyl)propanamide;hydrobromide
CID 174991066
(2S)-2-[acetyl(amino)amino]-3-(4-hydroxyphenyl)propanoic acid
CID 173270660
2-[1-(4-hydroxyphenyl)propan-2-yl-methylamino]acetamide
CID 80505706
2-[ethoxycarbonyl(methyl)amino]-3-(4-hydroxyphenyl)propanoic acid
CID 70070432
(2S)-2-[acetyl(ethyl)amino]-3-(4-hydroxyphenyl)propanoic acid
CID 54080128
[(2S)-2-[ethyl(hydroxy)amino]-3-(4-hydroxyphenyl)propanoyl] (2S)-2-[ethyl(hydroxy)amino]-3-(4-hydroxyphenyl)propanoate
CID 155773814
(2S)-2-(dichloroamino)-3-(4-hydroxyphenyl)propanoic acid
CID 54511156

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(dimethylamino)-3-(4-hydroxyphenyl)propanamide?
The IUPAC name of (2S)-2-(dimethylamino)-3-(4-hydroxyphenyl)propanamide (CID 70366423) is (2S)-2-(dimethylamino)-3-(4-hydroxyphenyl)propanamide.
What is the SMILES notation for (2S)-2-(dimethylamino)-3-(4-hydroxyphenyl)propanamide?
The canonical SMILES for (2S)-2-(dimethylamino)-3-(4-hydroxyphenyl)propanamide is CN(C)[C@@H](Cc1ccc(O)cc1)C(N)=O.
What is the InChIKey of (2S)-2-(dimethylamino)-3-(4-hydroxyphenyl)propanamide?
The InChIKey is KNBUOJFJEBZXMY-JTQLQIEISA-N. The full InChI is InChI=1S/C11H16N2O2/c1-13(2)10(11(12)15)7-8-3-5-9(14)6-4-8/h3-6,10,14H,7H2,1-2H3,(H2,12,15)/t10-/m0/s1.
What are the key properties of (2S)-2-(dimethylamino)-3-(4-hydroxyphenyl)propanamide?
(2S)-2-(dimethylamino)-3-(4-hydroxyphenyl)propanamide has a molecular weight of 208.26 g/mol, XLogP of 0.35, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(dimethylamino)-3-(4-hydroxyphenyl)propanamide is sourced from PubChem (CID 70366423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).