2-amino-N-(2-hydroxypropyl)-3-phenylpropanamide

C12H18N2O2 — CID 43500101

IUPAC2-amino-N-(2-hydroxypropyl)-3-phenylpropanamide
SMILESCC(O)CNC(=O)C(N)Cc1ccccc1
InChIInChI=1S/C12H18N2O2/c1-9(15)8-14-12(16)11(13)7-10-5-3-2-4-6-10/h2-6,9,11,15H,7-8,13H2,1H3,(H,14,16)
InChIKeyVBWUDELLPCWITP-UHFFFAOYSA-N
MW222.29 g/mol
LogP0.05
Rot. Bonds5

About 2-amino-N-(2-hydroxypropyl)-3-phenylpropanamide

2-amino-N-(2-hydroxypropyl)-3-phenylpropanamide (PubChem CID 43500101) has the molecular formula C12H18N2O2 and a molecular weight of 222.29 g/mol. Its IUPAC name is 2-amino-N-(2-hydroxypropyl)-3-phenylpropanamide.

Molecular Properties

Compound Name2-amino-N-(2-hydroxypropyl)-3-phenylpropanamide
PubChem CID43500101
Molecular FormulaC12H18N2O2
Molecular Weight222.29 g/mol
Exact Mass222.14
IUPAC Name2-amino-N-(2-hydroxypropyl)-3-phenylpropanamide
SMILESCC(O)CNC(=O)C(N)Cc1ccccc1
InChIInChI=1S/C12H18N2O2/c1-9(15)8-14-12(16)11(13)7-10-5-3-2-4-6-10/h2-6,9,11,15H,7-8,13H2,1H3,(H,14,16)
InChIKeyVBWUDELLPCWITP-UHFFFAOYSA-N
XLogP0.05
TPSA75.35 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.29
LogP ≤ 50.05
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-2-amino-N-(2-hydroxy-3-methylbutyl)-3-phenylpropanamide
CID 113492232
(2R)-2-amino-N-(2,3-dimethylbutyl)-3-phenylpropanamide
CID 78996657
(2S)-2-amino-N-[(3R)-3-hydroxybutyl]-3-phenylpropanamide
CID 97183881
2-amino-N-(2-methylbutyl)-3-phenylpropanamide
CID 55108121
(2R)-2-amino-N-(2-hydroxypentyl)-3-phenylpropanamide
CID 103796801
(2S)-2-amino-N-(3,3-difluoro-2-hydroxypropyl)-3-phenylpropanamide
CID 103796488
(2R)-2-amino-N-(3-methoxy-2-methylpropyl)-3-phenylpropanamide
CID 78985598
2-amino-N-(3-methyl-2-phenylbutyl)-3-phenylpropanamide;hydrochloride
CID 119294110
(2S)-2-amino-N-(3-methylbutyl)-3-phenylpropanamide
CID 10399143
2-amino-N-ethyl-3-phenylpropanamide;hydrochloride
CID 53409094
(2R)-2-amino-3-phenyl-N-(3,3,3-trifluoro-2-hydroxypropyl)propanamide
CID 103795784
(2S)-2-amino-N-(3,3-dimethylbutyl)-3-phenylpropanamide
CID 83306119

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(2-hydroxypropyl)-3-phenylpropanamide?
The IUPAC name of 2-amino-N-(2-hydroxypropyl)-3-phenylpropanamide (CID 43500101) is 2-amino-N-(2-hydroxypropyl)-3-phenylpropanamide.
What is the SMILES notation for 2-amino-N-(2-hydroxypropyl)-3-phenylpropanamide?
The canonical SMILES for 2-amino-N-(2-hydroxypropyl)-3-phenylpropanamide is CC(O)CNC(=O)C(N)Cc1ccccc1.
What is the InChIKey of 2-amino-N-(2-hydroxypropyl)-3-phenylpropanamide?
The InChIKey is VBWUDELLPCWITP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O2/c1-9(15)8-14-12(16)11(13)7-10-5-3-2-4-6-10/h2-6,9,11,15H,7-8,13H2,1H3,(H,14,16).
What are the key properties of 2-amino-N-(2-hydroxypropyl)-3-phenylpropanamide?
2-amino-N-(2-hydroxypropyl)-3-phenylpropanamide has a molecular weight of 222.29 g/mol, XLogP of 0.05, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-(2-hydroxypropyl)-3-phenylpropanamide is sourced from PubChem (CID 43500101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).