3-amino-N-(1,3-dihydroxypropan-2-yl)-2-phenylpropanamide

C12H18N2O3 — CID 65314592

IUPAC3-amino-N-(1,3-dihydroxypropan-2-yl)-2-phenylpropanamide
SMILESNCC(C(=O)NC(CO)CO)c1ccccc1
InChIInChI=1S/C12H18N2O3/c13-6-11(9-4-2-1-3-5-9)12(17)14-10(7-15)8-16/h1-5,10-11,15-16H,6-8,13H2,(H,14,17)
InChIKeyOVIBBIBNPMODPV-UHFFFAOYSA-N
MW238.29 g/mol
LogP-0.80
Rot. Bonds6

About 3-amino-N-(1,3-dihydroxypropan-2-yl)-2-phenylpropanamide

3-amino-N-(1,3-dihydroxypropan-2-yl)-2-phenylpropanamide (PubChem CID 65314592) has the molecular formula C12H18N2O3 and a molecular weight of 238.29 g/mol. Its IUPAC name is 3-amino-N-(1,3-dihydroxypropan-2-yl)-2-phenylpropanamide.

Molecular Properties

Compound Name3-amino-N-(1,3-dihydroxypropan-2-yl)-2-phenylpropanamide
PubChem CID65314592
Molecular FormulaC12H18N2O3
Molecular Weight238.29 g/mol
Exact Mass238.13
IUPAC Name3-amino-N-(1,3-dihydroxypropan-2-yl)-2-phenylpropanamide
SMILESNCC(C(=O)NC(CO)CO)c1ccccc1
InChIInChI=1S/C12H18N2O3/c13-6-11(9-4-2-1-3-5-9)12(17)14-10(7-15)8-16/h1-5,10-11,15-16H,6-8,13H2,(H,14,17)
InChIKeyOVIBBIBNPMODPV-UHFFFAOYSA-N
XLogP-0.80
TPSA95.58 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.29
LogP ≤ 5-0.80
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

3-amino-N-(1-hydroxypropan-2-yl)-2-phenylpropanamide
CID 62877991
3-amino-2-phenyl-N-(1-phenylpropyl)propanamide
CID 62878381
3-amino-N-(4-hydroxy-1-methoxybutan-2-yl)-2-phenylpropanamide
CID 106161073
3-amino-N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-2-phenylpropanamide
CID 107852996
2-[(3-amino-2-phenylpropanoyl)amino]-3-methylbutanamide
CID 106344661
3-amino-2-phenyl-N-(2-phenylethyl)propanamide
CID 62879042
(2R)-5-amino-2-[(3-amino-2-phenylpropanoyl)amino]-5-oxopentanoic acid
CID 107830298
3-amino-N-[(1S)-1-(4-fluorophenyl)ethyl]-2-phenylpropanamide
CID 81347787
3-amino-N-[(1R)-1-(2-methylphenyl)ethyl]-2-phenylpropanamide
CID 81363517
3-amino-N-[1-(diethylamino)-1-oxopropan-2-yl]-2-phenylpropanamide
CID 62878348
3-amino-N-[(1R)-1-(2-fluorophenyl)ethyl]-2-phenylpropanamide
CID 81375006
3-amino-N-(1-methoxy-3-methylbutan-2-yl)-2-phenylpropanamide
CID 65047695

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-(1,3-dihydroxypropan-2-yl)-2-phenylpropanamide?
The IUPAC name of 3-amino-N-(1,3-dihydroxypropan-2-yl)-2-phenylpropanamide (CID 65314592) is 3-amino-N-(1,3-dihydroxypropan-2-yl)-2-phenylpropanamide.
What is the SMILES notation for 3-amino-N-(1,3-dihydroxypropan-2-yl)-2-phenylpropanamide?
The canonical SMILES for 3-amino-N-(1,3-dihydroxypropan-2-yl)-2-phenylpropanamide is NCC(C(=O)NC(CO)CO)c1ccccc1.
What is the InChIKey of 3-amino-N-(1,3-dihydroxypropan-2-yl)-2-phenylpropanamide?
The InChIKey is OVIBBIBNPMODPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O3/c13-6-11(9-4-2-1-3-5-9)12(17)14-10(7-15)8-16/h1-5,10-11,15-16H,6-8,13H2,(H,14,17).
What are the key properties of 3-amino-N-(1,3-dihydroxypropan-2-yl)-2-phenylpropanamide?
3-amino-N-(1,3-dihydroxypropan-2-yl)-2-phenylpropanamide has a molecular weight of 238.29 g/mol, XLogP of -0.80, 6 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-(1,3-dihydroxypropan-2-yl)-2-phenylpropanamide is sourced from PubChem (CID 65314592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).