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

C20H28N2O3 — CID 159384207

IUPAC(2S,3R)-N,3-dihydroxy-2-[1-(4-phenylphenyl)propylamino]butanamide;methane
SMILESC.CCC(N[C@H](C(=O)NO)[C@@H](C)O)c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C19H24N2O3.CH4/c1-3-17(20-18(13(2)22)19(23)21-24)16-11-9-15(10-12-16)14-7-5-4-6-8-14;/h4-13,17-18,20,22,24H,3H2,1-2H3,(H,21,23);1H4/t13-,17?,18+;/m1./s1
InChIKeyLLHGGFWOCLQMBX-LECFKMMGSA-N
MW344.46 g/mol
LogP3.29
Rot. Bonds7

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

(2S,3R)-N,3-dihydroxy-2-[1-(4-phenylphenyl)propylamino]butanamide;methane (PubChem CID 159384207) has the molecular formula C20H28N2O3 and a molecular weight of 344.46 g/mol. Its IUPAC name is (2S,3R)-N,3-dihydroxy-2-[1-(4-phenylphenyl)propylamino]butanamide;methane.

Molecular Properties

Compound Name(2S,3R)-N,3-dihydroxy-2-[1-(4-phenylphenyl)propylamino]butanamide;methane
PubChem CID159384207
Molecular FormulaC20H28N2O3
Molecular Weight344.46 g/mol
Exact Mass344.21
IUPAC Name(2S,3R)-N,3-dihydroxy-2-[1-(4-phenylphenyl)propylamino]butanamide;methane
SMILESC.CCC(N[C@H](C(=O)NO)[C@@H](C)O)c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C19H24N2O3.CH4/c1-3-17(20-18(13(2)22)19(23)21-24)16-11-9-15(10-12-16)14-7-5-4-6-8-14;/h4-13,17-18,20,22,24H,3H2,1-2H3,(H,21,23);1H4/t13-,17?,18+;/m1./s1
InChIKeyLLHGGFWOCLQMBX-LECFKMMGSA-N
XLogP3.29
TPSA81.59 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.46
LogP ≤ 53.29
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-phenylphenyl)ethylamino]butanamide
CID 59697640
(2S,3R)-N,3-dihydroxy-2-[1-[4-(4-methylphenyl)phenyl]ethylamino]butanamide
CID 59698233
(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
(2S,3R)-3-hydroxy-N-[(2S,3R)-3-hydroxy-1-(hydroxyamino)-1-oxobutan-2-yl]-2-[[2-(4-phenylphenyl)acetyl]amino]butanamide
CID 59697972
(2S)-N'-[(2S,3R)-3-hydroxy-1-(hydroxyamino)-1-oxobutan-2-yl]-4-methyl-2-(4-phenylphenyl)heptanediamide
CID 87102928
N-[1-(4-methylphenyl)propyl]-4-phenylbenzamide
CID 17328245
(2S)-2-(1-phenylpropylamino)propanoic acid
CID 90916236
4-(4-ethylphenyl)-N-[(2S)-1-[[(2S,3R)-3-hydroxy-1-(hydroxyamino)-1-oxobutan-2-yl]amino]-1-oxobutan-2-yl]benzamide
CID 59829953
(2S)-2-(methylamino)-N-(1-phenylpropyl)propanamide
CID 165438311
(2S)-N-[(2S,3R)-3-hydroxy-1-(hydroxyamino)-1-oxobutan-2-yl]-2-[[2-(4-phenylphenyl)acetyl]amino]pentanediamide
CID 59697968
(2S,3R)-N,3-dihydroxy-2-[(4-phenylphenyl)methylamino]butanamide;hydroxylamine;methane;methyl (2S,3R)-3-hydroxy-2-[(4-phenylphenyl)methylamino]butanoate;4-phenylbenzaldehyde;hydrochloride
CID 158451181
N-[(2S,3R)-3-hydroxy-1-(hydroxyamino)-1-oxobutan-2-yl]-4-(4-phenylphenyl)piperidine-1-carboxamide
CID 44633511

Frequently Asked Questions

What is the IUPAC name of (2S,3R)-N,3-dihydroxy-2-[1-(4-phenylphenyl)propylamino]butanamide;methane?
The IUPAC name of (2S,3R)-N,3-dihydroxy-2-[1-(4-phenylphenyl)propylamino]butanamide;methane (CID 159384207) is (2S,3R)-N,3-dihydroxy-2-[1-(4-phenylphenyl)propylamino]butanamide;methane.
What is the SMILES notation for (2S,3R)-N,3-dihydroxy-2-[1-(4-phenylphenyl)propylamino]butanamide;methane?
The canonical SMILES for (2S,3R)-N,3-dihydroxy-2-[1-(4-phenylphenyl)propylamino]butanamide;methane is C.CCC(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)propylamino]butanamide;methane?
The InChIKey is LLHGGFWOCLQMBX-LECFKMMGSA-N. The full InChI is InChI=1S/C19H24N2O3.CH4/c1-3-17(20-18(13(2)22)19(23)21-24)16-11-9-15(10-12-16)14-7-5-4-6-8-14;/h4-13,17-18,20,22,24H,3H2,1-2H3,(H,21,23);1H4/t13-,17?,18+;/m1./s1.
What are the key properties of (2S,3R)-N,3-dihydroxy-2-[1-(4-phenylphenyl)propylamino]butanamide;methane?
(2S,3R)-N,3-dihydroxy-2-[1-(4-phenylphenyl)propylamino]butanamide;methane has a molecular weight of 344.46 g/mol, XLogP of 3.29, 7 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)propylamino]butanamide;methane is sourced from PubChem (CID 159384207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).