(2S,3R)-N,3-dihydroxy-2-[1-(4-phenylphenyl)ethylamino]butanamide

C18H22N2O3 — CID 59697640

IUPAC(2S,3R)-N,3-dihydroxy-2-[1-(4-phenylphenyl)ethylamino]butanamide
SMILESCC(N[C@H](C(=O)NO)[C@@H](C)O)c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C18H22N2O3/c1-12(19-17(13(2)21)18(22)20-23)14-8-10-16(11-9-14)15-6-4-3-5-7-15/h3-13,17,19,21,23H,1-2H3,(H,20,22)/t12?,13-,17+/m1/s1
InChIKeyIRKNGKTUNXIDOJ-SHSDOYLRSA-N
MW314.38 g/mol
LogP2.26
Rot. Bonds6

About (2S,3R)-N,3-dihydroxy-2-[1-(4-phenylphenyl)ethylamino]butanamide

(2S,3R)-N,3-dihydroxy-2-[1-(4-phenylphenyl)ethylamino]butanamide (PubChem CID 59697640) has the molecular formula C18H22N2O3 and a molecular weight of 314.38 g/mol. Its IUPAC name is (2S,3R)-N,3-dihydroxy-2-[1-(4-phenylphenyl)ethylamino]butanamide.

Molecular Properties

Compound Name(2S,3R)-N,3-dihydroxy-2-[1-(4-phenylphenyl)ethylamino]butanamide
PubChem CID59697640
Molecular FormulaC18H22N2O3
Molecular Weight314.38 g/mol
Exact Mass314.16
IUPAC Name(2S,3R)-N,3-dihydroxy-2-[1-(4-phenylphenyl)ethylamino]butanamide
SMILESCC(N[C@H](C(=O)NO)[C@@H](C)O)c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C18H22N2O3/c1-12(19-17(13(2)21)18(22)20-23)14-8-10-16(11-9-14)15-6-4-3-5-7-15/h3-13,17,19,21,23H,1-2H3,(H,20,22)/t12?,13-,17+/m1/s1
InChIKeyIRKNGKTUNXIDOJ-SHSDOYLRSA-N
XLogP2.26
TPSA81.59 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.38
LogP ≤ 52.26
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

(2S,3R)-N,3-dihydroxy-2-[1-[4-(4-methylphenyl)phenyl]ethylamino]butanamide
CID 59698233
(2S,3R)-N,3-dihydroxy-2-[1-(4-phenylphenyl)propylamino]butanamide;methane
CID 159384207
(2S,3R)-3-hydroxy-N-[(2S,3R)-3-hydroxy-1-(hydroxyamino)-1-oxobutan-2-yl]-2-[[2-(4-phenylphenyl)acetyl]amino]butanamide
CID 59697972
2-[1-(4-phenylphenyl)ethylamino]propanamide
CID 43398020
(2S,3R)-3-hydroxy-N-[(2S,3R)-3-hydroxy-1-(hydroxyamino)-1-oxobutan-2-yl]-2-[[2-(4-phenylphenyl)acetyl]amino]butanamide;methane
CID 158810597
2-methyl-N-[1-(4-phenylphenyl)ethyl]propanamide
CID 43011131
(2S)-N'-[(2S,3R)-3-hydroxy-1-(hydroxyamino)-1-oxobutan-2-yl]-4-methyl-2-(4-phenylphenyl)heptanediamide
CID 87102928
(2S)-N-tert-butyl-3-methyl-2-[[(1R)-1-phenylethyl]amino]butanamide
CID 101070351
N-[4,4-difluoro-1-(hydroxyamino)-3-methyl-1-oxobutan-2-yl]-4-phenylbenzamide
CID 145391421
4-bromo-N-[1-(4-phenylphenyl)ethyl]benzamide
CID 4267711
N-[(2S,3R)-3-hydroxy-1-(hydroxyamino)-1-oxobutan-2-yl]-4-(4-phenylphenyl)piperidine-1-carboxamide
CID 44633511
1-N,1-N'-bis[(1R)-1-phenylethyl]ethane-1,1-diamine
CID 59070989

Frequently Asked Questions

What is the IUPAC name of (2S,3R)-N,3-dihydroxy-2-[1-(4-phenylphenyl)ethylamino]butanamide?
The IUPAC name of (2S,3R)-N,3-dihydroxy-2-[1-(4-phenylphenyl)ethylamino]butanamide (CID 59697640) is (2S,3R)-N,3-dihydroxy-2-[1-(4-phenylphenyl)ethylamino]butanamide.
What is the SMILES notation for (2S,3R)-N,3-dihydroxy-2-[1-(4-phenylphenyl)ethylamino]butanamide?
The canonical SMILES for (2S,3R)-N,3-dihydroxy-2-[1-(4-phenylphenyl)ethylamino]butanamide is CC(N[C@H](C(=O)NO)[C@@H](C)O)c1ccc(-c2ccccc2)cc1.
What is the InChIKey of (2S,3R)-N,3-dihydroxy-2-[1-(4-phenylphenyl)ethylamino]butanamide?
The InChIKey is IRKNGKTUNXIDOJ-SHSDOYLRSA-N. The full InChI is InChI=1S/C18H22N2O3/c1-12(19-17(13(2)21)18(22)20-23)14-8-10-16(11-9-14)15-6-4-3-5-7-15/h3-13,17,19,21,23H,1-2H3,(H,20,22)/t12?,13-,17+/m1/s1.
What are the key properties of (2S,3R)-N,3-dihydroxy-2-[1-(4-phenylphenyl)ethylamino]butanamide?
(2S,3R)-N,3-dihydroxy-2-[1-(4-phenylphenyl)ethylamino]butanamide has a molecular weight of 314.38 g/mol, XLogP of 2.26, 6 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3R)-N,3-dihydroxy-2-[1-(4-phenylphenyl)ethylamino]butanamide is sourced from PubChem (CID 59697640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).