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

C13H20N2O2 — CID 80551917

IUPAC3-amino-N-(2-hydroxypropyl)-2-methyl-3-phenylpropanamide
SMILESCC(O)CNC(=O)C(C)C(N)c1ccccc1
InChIInChI=1S/C13H20N2O2/c1-9(16)8-15-13(17)10(2)12(14)11-6-4-3-5-7-11/h3-7,9-10,12,16H,8,14H2,1-2H3,(H,15,17)
InChIKeyAUDFVRVPSSUZFY-UHFFFAOYSA-N
MW236.31 g/mol
LogP0.82
Rot. Bonds5

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

3-amino-N-(2-hydroxypropyl)-2-methyl-3-phenylpropanamide (PubChem CID 80551917) has the molecular formula C13H20N2O2 and a molecular weight of 236.31 g/mol. Its IUPAC name is 3-amino-N-(2-hydroxypropyl)-2-methyl-3-phenylpropanamide.

Molecular Properties

Compound Name3-amino-N-(2-hydroxypropyl)-2-methyl-3-phenylpropanamide
PubChem CID80551917
Molecular FormulaC13H20N2O2
Molecular Weight236.31 g/mol
Exact Mass236.15
IUPAC Name3-amino-N-(2-hydroxypropyl)-2-methyl-3-phenylpropanamide
SMILESCC(O)CNC(=O)C(C)C(N)c1ccccc1
InChIInChI=1S/C13H20N2O2/c1-9(16)8-15-13(17)10(2)12(14)11-6-4-3-5-7-11/h3-7,9-10,12,16H,8,14H2,1-2H3,(H,15,17)
InChIKeyAUDFVRVPSSUZFY-UHFFFAOYSA-N
XLogP0.82
TPSA75.35 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.31
LogP ≤ 50.82
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

3-amino-N-(3-amino-2-hydroxy-3-oxopropyl)-2-methyl-3-phenylpropanamide
CID 106175749
(2R)-2-amino-N-[(2S)-2-hydroxypropyl]-2-phenylacetamide
CID 93083385
3-amino-N-(2-ethylbutyl)-2-methyl-3-phenylpropanamide;hydrochloride
CID 119706690
3-amino-N-[2-(dimethylamino)propyl]-2-methyl-3-phenylpropanamide;dihydrochloride
CID 119861809
5-[(3-amino-2-methyl-3-phenylpropanoyl)amino]-4-methylpentanoic acid
CID 82014367
3-amino-2-methyl-3-phenyl-N-prop-2-enylpropanamide
CID 80551795
4-[(3-amino-2-methyl-3-phenylpropanoyl)amino]butanoic acid
CID 80552213
3-amino-N-(5,5-dimethylhexyl)-2-methyl-3-phenylpropanamide
CID 119775743
3-amino-N-(5-hydroxypentyl)-2-methyl-3-phenylpropanamide
CID 107317767
N-(3-acetamidopropyl)-3-amino-2-methyl-3-phenylpropanamide;hydrochloride
CID 119725929
3-amino-N-[2-(4-chlorophenoxy)propyl]-2-methyl-3-phenylpropanamide
CID 119804637
2-cyano-N-(2-hydroxypropyl)-2-phenylacetamide
CID 107857146

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-(2-hydroxypropyl)-2-methyl-3-phenylpropanamide?
The IUPAC name of 3-amino-N-(2-hydroxypropyl)-2-methyl-3-phenylpropanamide (CID 80551917) is 3-amino-N-(2-hydroxypropyl)-2-methyl-3-phenylpropanamide.
What is the SMILES notation for 3-amino-N-(2-hydroxypropyl)-2-methyl-3-phenylpropanamide?
The canonical SMILES for 3-amino-N-(2-hydroxypropyl)-2-methyl-3-phenylpropanamide is CC(O)CNC(=O)C(C)C(N)c1ccccc1.
What is the InChIKey of 3-amino-N-(2-hydroxypropyl)-2-methyl-3-phenylpropanamide?
The InChIKey is AUDFVRVPSSUZFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O2/c1-9(16)8-15-13(17)10(2)12(14)11-6-4-3-5-7-11/h3-7,9-10,12,16H,8,14H2,1-2H3,(H,15,17).
What are the key properties of 3-amino-N-(2-hydroxypropyl)-2-methyl-3-phenylpropanamide?
3-amino-N-(2-hydroxypropyl)-2-methyl-3-phenylpropanamide has a molecular weight of 236.31 g/mol, XLogP of 0.82, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-(2-hydroxypropyl)-2-methyl-3-phenylpropanamide is sourced from PubChem (CID 80551917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).