(2S)-2-[3-(4-hydroxyphenyl)propylamino]propanamide

C12H18N2O2 — CID 156702322

IUPAC(2S)-2-[3-(4-hydroxyphenyl)propylamino]propanamide
SMILESC[C@H](NCCCc1ccc(O)cc1)C(N)=O
InChIInChI=1S/C12H18N2O2/c1-9(12(13)16)14-8-2-3-10-4-6-11(15)7-5-10/h4-7,9,14-15H,2-3,8H2,1H3,(H2,13,16)/t9-/m0/s1
InChIKeyXBXFYFPEJYOQFS-VIFPVBQESA-N
MW222.29 g/mol
LogP0.79
Rot. Bonds6

About (2S)-2-[3-(4-hydroxyphenyl)propylamino]propanamide

(2S)-2-[3-(4-hydroxyphenyl)propylamino]propanamide (PubChem CID 156702322) has the molecular formula C12H18N2O2 and a molecular weight of 222.29 g/mol. Its IUPAC name is (2S)-2-[3-(4-hydroxyphenyl)propylamino]propanamide.

Molecular Properties

Compound Name(2S)-2-[3-(4-hydroxyphenyl)propylamino]propanamide
PubChem CID156702322
Molecular FormulaC12H18N2O2
Molecular Weight222.29 g/mol
Exact Mass222.14
IUPAC Name(2S)-2-[3-(4-hydroxyphenyl)propylamino]propanamide
SMILESC[C@H](NCCCc1ccc(O)cc1)C(N)=O
InChIInChI=1S/C12H18N2O2/c1-9(12(13)16)14-8-2-3-10-4-6-11(15)7-5-10/h4-7,9,14-15H,2-3,8H2,1H3,(H2,13,16)/t9-/m0/s1
InChIKeyXBXFYFPEJYOQFS-VIFPVBQESA-N
XLogP0.79
TPSA75.35 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.29
LogP ≤ 50.79
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze (2S)-2-[3-(4-hydroxyphenyl)propylamino]propanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-hydroxy-2-[3-(4-methylphenyl)propylamino]propanamide;hydrochloride
CID 23302048
1-(4-hydroxyphenyl)-2-[2-(4-hydroxyphenyl)ethylamino]propan-1-one;hydrate;hydrochloride
CID 3031074
2-(3-hydroxypropylamino)propanamide
CID 43392787
4-[3-[3-(4-hydroxyphenyl)propylamino]propyl]phenol
CID 101010463
1-[3-(4-hydroxyphenyl)propyl]-3-(1-hydroxypropan-2-yl)urea
CID 111428407
4-[4-(4-hydroxyphenyl)butan-2-ylamino]butanoic acid
CID 54920474
2-(4,4,4-trifluorobutylamino)propanamide
CID 115513545
4-[3-(2-methylbutylamino)propyl]phenol
CID 115887589
N-[2-(4-hydroxyphenyl)ethyl]-2,3-dimethylbutanamide
CID 20759703
2-(4-hydroxyphenyl)ethyl (2S)-2-hydroxypropanoate
CID 163078675
2-[4-(4-hydroxyphenyl)butan-2-ylamino]-2-methylpropanamide
CID 61212956
(2S)-1-(4-hydroxyphenyl)-2-(2-phenylethylamino)propan-1-one
CID 69303201

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[3-(4-hydroxyphenyl)propylamino]propanamide?
The IUPAC name of (2S)-2-[3-(4-hydroxyphenyl)propylamino]propanamide (CID 156702322) is (2S)-2-[3-(4-hydroxyphenyl)propylamino]propanamide.
What is the SMILES notation for (2S)-2-[3-(4-hydroxyphenyl)propylamino]propanamide?
The canonical SMILES for (2S)-2-[3-(4-hydroxyphenyl)propylamino]propanamide is C[C@H](NCCCc1ccc(O)cc1)C(N)=O.
What is the InChIKey of (2S)-2-[3-(4-hydroxyphenyl)propylamino]propanamide?
The InChIKey is XBXFYFPEJYOQFS-VIFPVBQESA-N. The full InChI is InChI=1S/C12H18N2O2/c1-9(12(13)16)14-8-2-3-10-4-6-11(15)7-5-10/h4-7,9,14-15H,2-3,8H2,1H3,(H2,13,16)/t9-/m0/s1.
What are the key properties of (2S)-2-[3-(4-hydroxyphenyl)propylamino]propanamide?
(2S)-2-[3-(4-hydroxyphenyl)propylamino]propanamide has a molecular weight of 222.29 g/mol, XLogP of 0.79, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[3-(4-hydroxyphenyl)propylamino]propanamide is sourced from PubChem (CID 156702322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).