2-[1-hydroxypropan-2-yl(methyl)amino]-N-phenylpropanamide

C13H20N2O2 — CID 113426304

IUPAC2-[1-hydroxypropan-2-yl(methyl)amino]-N-phenylpropanamide
SMILESCC(CO)N(C)C(C)C(=O)Nc1ccccc1
InChIInChI=1S/C13H20N2O2/c1-10(9-16)15(3)11(2)13(17)14-12-7-5-4-6-8-12/h4-8,10-11,16H,9H2,1-3H3,(H,14,17)
InChIKeyZIEYWYZYFVTNCU-UHFFFAOYSA-N
MW236.31 g/mol
LogP1.33
Rot. Bonds5

About 2-[1-hydroxypropan-2-yl(methyl)amino]-N-phenylpropanamide

2-[1-hydroxypropan-2-yl(methyl)amino]-N-phenylpropanamide (PubChem CID 113426304) has the molecular formula C13H20N2O2 and a molecular weight of 236.31 g/mol. Its IUPAC name is 2-[1-hydroxypropan-2-yl(methyl)amino]-N-phenylpropanamide.

Molecular Properties

Compound Name2-[1-hydroxypropan-2-yl(methyl)amino]-N-phenylpropanamide
PubChem CID113426304
Molecular FormulaC13H20N2O2
Molecular Weight236.31 g/mol
Exact Mass236.15
IUPAC Name2-[1-hydroxypropan-2-yl(methyl)amino]-N-phenylpropanamide
SMILESCC(CO)N(C)C(C)C(=O)Nc1ccccc1
InChIInChI=1S/C13H20N2O2/c1-10(9-16)15(3)11(2)13(17)14-12-7-5-4-6-8-12/h4-8,10-11,16H,9H2,1-3H3,(H,14,17)
InChIKeyZIEYWYZYFVTNCU-UHFFFAOYSA-N
XLogP1.33
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.31
LogP ≤ 51.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[1-cyanopropan-2-yl(methyl)amino]-N-phenylpropanamide
CID 63224513
2-[(2-hydroxy-2-methylpropyl)-methylamino]-N-phenylpropanamide
CID 79390383
2-[dimethylcarbamoyl(propyl)amino]-N-phenylpropanamide
CID 75519630
2-[(2-amino-1-cyclopropylethyl)-methylamino]-N-phenylpropanamide
CID 116653105
2-methyl-N-phenylpentanamide
CID 4627801
(2S)-2-[methyl-[(2-methylphenyl)methyl]amino]-N-phenylpropanamide
CID 8516653
2-(1-hydroxypropan-2-ylamino)-N-phenylpropanamide
CID 43499919
(2R)-2-[(2R)-1-hydroxypropan-2-yl]sulfanyl-N-phenylpropanamide
CID 124595607
3-[(1-anilino-1-oxopropan-2-yl)-propylamino]-2-methylpropanoic acid
CID 82326694
2,3-dihydroxy-N-phenylpropanamide;hydrate
CID 141005572
5-anilino-4-methyl-5-oxopentanoic acid
CID 58720000
2-[2-cyanopropyl(ethyl)amino]-N-phenylpropanamide
CID 54988244

Frequently Asked Questions

What is the IUPAC name of 2-[1-hydroxypropan-2-yl(methyl)amino]-N-phenylpropanamide?
The IUPAC name of 2-[1-hydroxypropan-2-yl(methyl)amino]-N-phenylpropanamide (CID 113426304) is 2-[1-hydroxypropan-2-yl(methyl)amino]-N-phenylpropanamide.
What is the SMILES notation for 2-[1-hydroxypropan-2-yl(methyl)amino]-N-phenylpropanamide?
The canonical SMILES for 2-[1-hydroxypropan-2-yl(methyl)amino]-N-phenylpropanamide is CC(CO)N(C)C(C)C(=O)Nc1ccccc1.
What is the InChIKey of 2-[1-hydroxypropan-2-yl(methyl)amino]-N-phenylpropanamide?
The InChIKey is ZIEYWYZYFVTNCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O2/c1-10(9-16)15(3)11(2)13(17)14-12-7-5-4-6-8-12/h4-8,10-11,16H,9H2,1-3H3,(H,14,17).
What are the key properties of 2-[1-hydroxypropan-2-yl(methyl)amino]-N-phenylpropanamide?
2-[1-hydroxypropan-2-yl(methyl)amino]-N-phenylpropanamide has a molecular weight of 236.31 g/mol, XLogP of 1.33, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-hydroxypropan-2-yl(methyl)amino]-N-phenylpropanamide is sourced from PubChem (CID 113426304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).