(2S)-2-(benzylcarbamoylamino)-N-hydroxy-2-phenylacetamide

C16H17N3O3 — CID 71455879

IUPAC(2S)-2-(benzylcarbamoylamino)-N-hydroxy-2-phenylacetamide
SMILESO=C(NCc1ccccc1)N[C@H](C(=O)NO)c1ccccc1
InChIInChI=1S/C16H17N3O3/c20-15(19-22)14(13-9-5-2-6-10-13)18-16(21)17-11-12-7-3-1-4-8-12/h1-10,14,22H,11H2,(H,19,20)(H2,17,18,21)/t14-/m0/s1
InChIKeyYEISWMLQPRJWOS-AWEZNQCLSA-N
MW299.33 g/mol
LogP1.73
Rot. Bonds5

About (2S)-2-(benzylcarbamoylamino)-N-hydroxy-2-phenylacetamide

(2S)-2-(benzylcarbamoylamino)-N-hydroxy-2-phenylacetamide (PubChem CID 71455879) has the molecular formula C16H17N3O3 and a molecular weight of 299.33 g/mol. Its IUPAC name is (2S)-2-(benzylcarbamoylamino)-N-hydroxy-2-phenylacetamide.

Molecular Properties

Compound Name(2S)-2-(benzylcarbamoylamino)-N-hydroxy-2-phenylacetamide
PubChem CID71455879
Molecular FormulaC16H17N3O3
Molecular Weight299.33 g/mol
Exact Mass299.13
IUPAC Name(2S)-2-(benzylcarbamoylamino)-N-hydroxy-2-phenylacetamide
SMILESO=C(NCc1ccccc1)N[C@H](C(=O)NO)c1ccccc1
InChIInChI=1S/C16H17N3O3/c20-15(19-22)14(13-9-5-2-6-10-13)18-16(21)17-11-12-7-3-1-4-8-12/h1-10,14,22H,11H2,(H,19,20)(H2,17,18,21)/t14-/m0/s1
InChIKeyYEISWMLQPRJWOS-AWEZNQCLSA-N
XLogP1.73
TPSA90.46 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.33
LogP ≤ 51.73
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

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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Frequently Asked Questions

What is the IUPAC name of (2S)-2-(benzylcarbamoylamino)-N-hydroxy-2-phenylacetamide?
The IUPAC name of (2S)-2-(benzylcarbamoylamino)-N-hydroxy-2-phenylacetamide (CID 71455879) is (2S)-2-(benzylcarbamoylamino)-N-hydroxy-2-phenylacetamide.
What is the SMILES notation for (2S)-2-(benzylcarbamoylamino)-N-hydroxy-2-phenylacetamide?
The canonical SMILES for (2S)-2-(benzylcarbamoylamino)-N-hydroxy-2-phenylacetamide is O=C(NCc1ccccc1)N[C@H](C(=O)NO)c1ccccc1.
What is the InChIKey of (2S)-2-(benzylcarbamoylamino)-N-hydroxy-2-phenylacetamide?
The InChIKey is YEISWMLQPRJWOS-AWEZNQCLSA-N. The full InChI is InChI=1S/C16H17N3O3/c20-15(19-22)14(13-9-5-2-6-10-13)18-16(21)17-11-12-7-3-1-4-8-12/h1-10,14,22H,11H2,(H,19,20)(H2,17,18,21)/t14-/m0/s1.
What are the key properties of (2S)-2-(benzylcarbamoylamino)-N-hydroxy-2-phenylacetamide?
(2S)-2-(benzylcarbamoylamino)-N-hydroxy-2-phenylacetamide has a molecular weight of 299.33 g/mol, XLogP of 1.73, 5 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(benzylcarbamoylamino)-N-hydroxy-2-phenylacetamide is sourced from PubChem (CID 71455879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).