2-(1-hydroxypropan-2-ylamino)-N-phenylpropanamide

C12H18N2O2 — CID 43499919

IUPAC2-(1-hydroxypropan-2-ylamino)-N-phenylpropanamide
SMILESCC(CO)NC(C)C(=O)Nc1ccccc1
InChIInChI=1S/C12H18N2O2/c1-9(8-15)13-10(2)12(16)14-11-6-4-3-5-7-11/h3-7,9-10,13,15H,8H2,1-2H3,(H,14,16)
InChIKeyZBBLNNSKZDISLY-UHFFFAOYSA-N
MW222.29 g/mol
LogP0.98
Rot. Bonds5

About 2-(1-hydroxypropan-2-ylamino)-N-phenylpropanamide

2-(1-hydroxypropan-2-ylamino)-N-phenylpropanamide (PubChem CID 43499919) has the molecular formula C12H18N2O2 and a molecular weight of 222.29 g/mol. Its IUPAC name is 2-(1-hydroxypropan-2-ylamino)-N-phenylpropanamide.

Molecular Properties

Compound Name2-(1-hydroxypropan-2-ylamino)-N-phenylpropanamide
PubChem CID43499919
Molecular FormulaC12H18N2O2
Molecular Weight222.29 g/mol
Exact Mass222.14
IUPAC Name2-(1-hydroxypropan-2-ylamino)-N-phenylpropanamide
SMILESCC(CO)NC(C)C(=O)Nc1ccccc1
InChIInChI=1S/C12H18N2O2/c1-9(8-15)13-10(2)12(16)14-11-6-4-3-5-7-11/h3-7,9-10,13,15H,8H2,1-2H3,(H,14,16)
InChIKeyZBBLNNSKZDISLY-UHFFFAOYSA-N
XLogP0.98
TPSA61.36 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 ≤ 50.98
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-[[(2S)-1-hydroxy-3-methylbutan-2-yl]amino]-N-phenylpropanamide
CID 79248901
2-(pentan-2-ylamino)-N-phenylpropanamide
CID 43083650
2-(3,3-dimethylbutan-2-ylamino)-N-phenylpropanamide
CID 113457786
(2R)-2-[(2R)-1-hydroxypropan-2-yl]sulfanyl-N-phenylpropanamide
CID 124595607
2-[(4-anilino-4-oxobutan-2-yl)amino]propanoic acid
CID 114244259
(2S)-2-(methylamino)-N-phenylpropanamide;hydrochloride
CID 70254304
(2S)-2-[[(1S)-3-methyl-1-phenylbutyl]amino]-N-phenylpropanamide
CID 8645970
2-[[2-oxo-2-(propan-2-ylamino)ethyl]amino]-N-phenylpropanamide
CID 43401445
2-(benzylamino)-N-phenylpropanamide
CID 4877973
(2S)-2-(benzylamino)-N-phenylpropanamide
CID 2443956
2-[[1-(hydroxymethyl)cyclopropyl]methylamino]-N-phenylpropanamide
CID 115454689
2-[[(1R)-1-(4-bromophenyl)ethyl]amino]-N-phenylpropanamide
CID 81357170

Frequently Asked Questions

What is the IUPAC name of 2-(1-hydroxypropan-2-ylamino)-N-phenylpropanamide?
The IUPAC name of 2-(1-hydroxypropan-2-ylamino)-N-phenylpropanamide (CID 43499919) is 2-(1-hydroxypropan-2-ylamino)-N-phenylpropanamide.
What is the SMILES notation for 2-(1-hydroxypropan-2-ylamino)-N-phenylpropanamide?
The canonical SMILES for 2-(1-hydroxypropan-2-ylamino)-N-phenylpropanamide is CC(CO)NC(C)C(=O)Nc1ccccc1.
What is the InChIKey of 2-(1-hydroxypropan-2-ylamino)-N-phenylpropanamide?
The InChIKey is ZBBLNNSKZDISLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O2/c1-9(8-15)13-10(2)12(16)14-11-6-4-3-5-7-11/h3-7,9-10,13,15H,8H2,1-2H3,(H,14,16).
What are the key properties of 2-(1-hydroxypropan-2-ylamino)-N-phenylpropanamide?
2-(1-hydroxypropan-2-ylamino)-N-phenylpropanamide has a molecular weight of 222.29 g/mol, XLogP of 0.98, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-hydroxypropan-2-ylamino)-N-phenylpropanamide is sourced from PubChem (CID 43499919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).