(2S,3R)-3-hydroxy-2-[(2-phenylacetyl)-phenylmethoxyamino]butanamide

C19H22N2O4 — CID 57135639

IUPAC(2S,3R)-3-hydroxy-2-[(2-phenylacetyl)-phenylmethoxyamino]butanamide
SMILESC[C@@H](O)[C@@H](C(N)=O)N(OCc1ccccc1)C(=O)Cc1ccccc1
InChIInChI=1S/C19H22N2O4/c1-14(22)18(19(20)24)21(25-13-16-10-6-3-7-11-16)17(23)12-15-8-4-2-5-9-15/h2-11,14,18,22H,12-13H2,1H3,(H2,20,24)/t14-,18+/m1/s1
InChIKeyHVXVAHQOCMPXME-KDOFPFPSSA-N
MW342.39 g/mol
LogP1.42
Rot. Bonds8

About (2S,3R)-3-hydroxy-2-[(2-phenylacetyl)-phenylmethoxyamino]butanamide

(2S,3R)-3-hydroxy-2-[(2-phenylacetyl)-phenylmethoxyamino]butanamide (PubChem CID 57135639) has the molecular formula C19H22N2O4 and a molecular weight of 342.39 g/mol. Its IUPAC name is (2S,3R)-3-hydroxy-2-[(2-phenylacetyl)-phenylmethoxyamino]butanamide.

Molecular Properties

Compound Name(2S,3R)-3-hydroxy-2-[(2-phenylacetyl)-phenylmethoxyamino]butanamide
PubChem CID57135639
Molecular FormulaC19H22N2O4
Molecular Weight342.39 g/mol
Exact Mass342.16
IUPAC Name(2S,3R)-3-hydroxy-2-[(2-phenylacetyl)-phenylmethoxyamino]butanamide
SMILESC[C@@H](O)[C@@H](C(N)=O)N(OCc1ccccc1)C(=O)Cc1ccccc1
InChIInChI=1S/C19H22N2O4/c1-14(22)18(19(20)24)21(25-13-16-10-6-3-7-11-16)17(23)12-15-8-4-2-5-9-15/h2-11,14,18,22H,12-13H2,1H3,(H2,20,24)/t14-,18+/m1/s1
InChIKeyHVXVAHQOCMPXME-KDOFPFPSSA-N
XLogP1.42
TPSA92.86 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.39
LogP ≤ 51.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

benzyl N-[(2S,3R)-1-amino-3-hydroxy-1-oxobutan-2-yl]-N-(2-methoxypropan-2-yloxy)carbamate
CID 57290787
benzyl (2S,3R)-2-carbamoyl-3-hydroxybutanoate
CID 22843274
(2S)-3-methyl-2-[methyl-[(2S)-2-[methyl-(2-phenylacetyl)amino]propanoyl]amino]butanamide
CID 70063497
2-(N-(2-phenylacetyl)anilino)propanamide
CID 67696116
benzyl 3-hydroxybutanoate
CID 562226
(3R)-3-hydroxy-N-phenylmethoxybutanamide
CID 11106604
N-phenylmethoxyacetohydrazide
CID 174450270
benzyl (2S,3S)-2-amino-3-hydroxybutanoate;hydrochloride
CID 119032008
benzyl N-ethoxy-N-phenylcarbamate
CID 175623586
N,2-diphenyl-N-(2-phenylacetyl)acetamide
CID 23298384
benzyl 3-hydroxy-2-methyl-3-phenylmethoxypropanoate
CID 167055654
2-[bis(phenylmethoxycarbonyl)amino]propanoic acid
CID 18466015

Frequently Asked Questions

What is the IUPAC name of (2S,3R)-3-hydroxy-2-[(2-phenylacetyl)-phenylmethoxyamino]butanamide?
The IUPAC name of (2S,3R)-3-hydroxy-2-[(2-phenylacetyl)-phenylmethoxyamino]butanamide (CID 57135639) is (2S,3R)-3-hydroxy-2-[(2-phenylacetyl)-phenylmethoxyamino]butanamide.
What is the SMILES notation for (2S,3R)-3-hydroxy-2-[(2-phenylacetyl)-phenylmethoxyamino]butanamide?
The canonical SMILES for (2S,3R)-3-hydroxy-2-[(2-phenylacetyl)-phenylmethoxyamino]butanamide is C[C@@H](O)[C@@H](C(N)=O)N(OCc1ccccc1)C(=O)Cc1ccccc1.
What is the InChIKey of (2S,3R)-3-hydroxy-2-[(2-phenylacetyl)-phenylmethoxyamino]butanamide?
The InChIKey is HVXVAHQOCMPXME-KDOFPFPSSA-N. The full InChI is InChI=1S/C19H22N2O4/c1-14(22)18(19(20)24)21(25-13-16-10-6-3-7-11-16)17(23)12-15-8-4-2-5-9-15/h2-11,14,18,22H,12-13H2,1H3,(H2,20,24)/t14-,18+/m1/s1.
What are the key properties of (2S,3R)-3-hydroxy-2-[(2-phenylacetyl)-phenylmethoxyamino]butanamide?
(2S,3R)-3-hydroxy-2-[(2-phenylacetyl)-phenylmethoxyamino]butanamide has a molecular weight of 342.39 g/mol, XLogP of 1.42, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3R)-3-hydroxy-2-[(2-phenylacetyl)-phenylmethoxyamino]butanamide is sourced from PubChem (CID 57135639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).