N-[(2S,3R)-3,4-dihydroxy-1-phenylbutan-2-yl]benzamide

C17H19NO3 — CID 15293513

IUPACN-[(2S,3R)-3,4-dihydroxy-1-phenylbutan-2-yl]benzamide
SMILESO=C(N[C@@H](Cc1ccccc1)[C@@H](O)CO)c1ccccc1
InChIInChI=1S/C17H19NO3/c19-12-16(20)15(11-13-7-3-1-4-8-13)18-17(21)14-9-5-2-6-10-14/h1-10,15-16,19-20H,11-12H2,(H,18,21)/t15-,16-/m0/s1
InChIKeyXUICYYVXTNRVRZ-HOTGVXAUSA-N
MW285.34 g/mol
LogP1.38
Rot. Bonds6

About N-[(2S,3R)-3,4-dihydroxy-1-phenylbutan-2-yl]benzamide

N-[(2S,3R)-3,4-dihydroxy-1-phenylbutan-2-yl]benzamide (PubChem CID 15293513) has the molecular formula C17H19NO3 and a molecular weight of 285.34 g/mol. Its IUPAC name is N-[(2S,3R)-3,4-dihydroxy-1-phenylbutan-2-yl]benzamide.

Molecular Properties

Compound NameN-[(2S,3R)-3,4-dihydroxy-1-phenylbutan-2-yl]benzamide
PubChem CID15293513
Molecular FormulaC17H19NO3
Molecular Weight285.34 g/mol
Exact Mass285.14
IUPAC NameN-[(2S,3R)-3,4-dihydroxy-1-phenylbutan-2-yl]benzamide
SMILESO=C(N[C@@H](Cc1ccccc1)[C@@H](O)CO)c1ccccc1
InChIInChI=1S/C17H19NO3/c19-12-16(20)15(11-13-7-3-1-4-8-13)18-17(21)14-9-5-2-6-10-14/h1-10,15-16,19-20H,11-12H2,(H,18,21)/t15-,16-/m0/s1
InChIKeyXUICYYVXTNRVRZ-HOTGVXAUSA-N
XLogP1.38
TPSA69.56 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.34
LogP ≤ 51.38
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-3-benzamido-4-phenylbutanoic acid
CID 12502888
N-[4,4,4-trifluoro-3-[[(2S)-1-hydroxy-3-phenylpropan-2-yl]amino]-1-phenylbutan-2-yl]benzamide
CID 155674072
N-(2,3-dihydroxy-1-phenylpropyl)benzamide
CID 14650575
N-[4-[benzenesulfonyl(2-methylpropyl)amino]-3-hydroxy-1-phenylbutan-2-yl]benzamide
CID 21060799
2-[(1,1-dihydroxy-3-phenylpropan-2-yl)carbamoyl]benzoic acid
CID 123353160
N-[(2S,3S)-1,3-dihydroxypent-4-en-2-yl]benzamide
CID 165345561
N-[(2S,3S)-3,4-dihydroxy-1-phenylbutan-2-yl]-3-methoxy-4-(1H-pyrazol-4-yl)benzamide
CID 118662944
N-(1-phenyl-3-sulfanylpropan-2-yl)benzamide
CID 23344907
[(2S,3S)-4-chloro-3-hydroxy-1-phenylbutan-2-yl]carbamic acid
CID 20638367
N-[(2S)-1-phenylbutan-2-yl]benzamide
CID 778631
1-N,3-N,5-N-tris[(2S)-1-hydroxy-3-phenylpropan-2-yl]benzene-1,3,5-tricarboxamide
CID 102400382
N-[(2S,3R)-3-hydroxy-1-phenyl-4-(2-phenylpropan-2-ylamino)butan-2-yl]pyridine-4-carboxamide
CID 71717624

Frequently Asked Questions

What is the IUPAC name of N-[(2S,3R)-3,4-dihydroxy-1-phenylbutan-2-yl]benzamide?
The IUPAC name of N-[(2S,3R)-3,4-dihydroxy-1-phenylbutan-2-yl]benzamide (CID 15293513) is N-[(2S,3R)-3,4-dihydroxy-1-phenylbutan-2-yl]benzamide.
What is the SMILES notation for N-[(2S,3R)-3,4-dihydroxy-1-phenylbutan-2-yl]benzamide?
The canonical SMILES for N-[(2S,3R)-3,4-dihydroxy-1-phenylbutan-2-yl]benzamide is O=C(N[C@@H](Cc1ccccc1)[C@@H](O)CO)c1ccccc1.
What is the InChIKey of N-[(2S,3R)-3,4-dihydroxy-1-phenylbutan-2-yl]benzamide?
The InChIKey is XUICYYVXTNRVRZ-HOTGVXAUSA-N. The full InChI is InChI=1S/C17H19NO3/c19-12-16(20)15(11-13-7-3-1-4-8-13)18-17(21)14-9-5-2-6-10-14/h1-10,15-16,19-20H,11-12H2,(H,18,21)/t15-,16-/m0/s1.
What are the key properties of N-[(2S,3R)-3,4-dihydroxy-1-phenylbutan-2-yl]benzamide?
N-[(2S,3R)-3,4-dihydroxy-1-phenylbutan-2-yl]benzamide has a molecular weight of 285.34 g/mol, XLogP of 1.38, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S,3R)-3,4-dihydroxy-1-phenylbutan-2-yl]benzamide is sourced from PubChem (CID 15293513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).