(2R)-2-benzamido-N'-hydroxy-N-phenyloctanediamide

C21H25N3O4 — CID 59033885

IUPAC(2R)-2-benzamido-N'-hydroxy-N-phenyloctanediamide
SMILESO=C(CCCCC[C@@H](NC(=O)c1ccccc1)C(=O)Nc1ccccc1)NO
InChIInChI=1S/C21H25N3O4/c25-19(24-28)15-9-3-8-14-18(21(27)22-17-12-6-2-7-13-17)23-20(26)16-10-4-1-5-11-16/h1-2,4-7,10-13,18,28H,3,8-9,14-15H2,(H,22,27)(H,23,26)(H,24,25)/t18-/m1/s1
InChIKeyVQOMRPVLCGWPHT-GOSISDBHSA-N
MW383.45 g/mol
LogP2.88
Rot. Bonds10

About (2R)-2-benzamido-N'-hydroxy-N-phenyloctanediamide

(2R)-2-benzamido-N'-hydroxy-N-phenyloctanediamide (PubChem CID 59033885) has the molecular formula C21H25N3O4 and a molecular weight of 383.45 g/mol. Its IUPAC name is (2R)-2-benzamido-N'-hydroxy-N-phenyloctanediamide.

Molecular Properties

Compound Name(2R)-2-benzamido-N'-hydroxy-N-phenyloctanediamide
PubChem CID59033885
Molecular FormulaC21H25N3O4
Molecular Weight383.45 g/mol
Exact Mass383.18
IUPAC Name(2R)-2-benzamido-N'-hydroxy-N-phenyloctanediamide
SMILESO=C(CCCCC[C@@H](NC(=O)c1ccccc1)C(=O)Nc1ccccc1)NO
InChIInChI=1S/C21H25N3O4/c25-19(24-28)15-9-3-8-14-18(21(27)22-17-12-6-2-7-13-17)23-20(26)16-10-4-1-5-11-16/h1-2,4-7,10-13,18,28H,3,8-9,14-15H2,(H,22,27)(H,23,26)(H,24,25)/t18-/m1/s1
InChIKeyVQOMRPVLCGWPHT-GOSISDBHSA-N
XLogP2.88
TPSA107.53 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.45
LogP ≤ 52.88
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'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 (2R)-2-benzamido-N'-hydroxy-N-phenyloctanediamide?
The IUPAC name of (2R)-2-benzamido-N'-hydroxy-N-phenyloctanediamide (CID 59033885) is (2R)-2-benzamido-N'-hydroxy-N-phenyloctanediamide.
What is the SMILES notation for (2R)-2-benzamido-N'-hydroxy-N-phenyloctanediamide?
The canonical SMILES for (2R)-2-benzamido-N'-hydroxy-N-phenyloctanediamide is O=C(CCCCC[C@@H](NC(=O)c1ccccc1)C(=O)Nc1ccccc1)NO.
What is the InChIKey of (2R)-2-benzamido-N'-hydroxy-N-phenyloctanediamide?
The InChIKey is VQOMRPVLCGWPHT-GOSISDBHSA-N. The full InChI is InChI=1S/C21H25N3O4/c25-19(24-28)15-9-3-8-14-18(21(27)22-17-12-6-2-7-13-17)23-20(26)16-10-4-1-5-11-16/h1-2,4-7,10-13,18,28H,3,8-9,14-15H2,(H,22,27)(H,23,26)(H,24,25)/t18-/m1/s1.
What are the key properties of (2R)-2-benzamido-N'-hydroxy-N-phenyloctanediamide?
(2R)-2-benzamido-N'-hydroxy-N-phenyloctanediamide has a molecular weight of 383.45 g/mol, XLogP of 2.88, 10 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-benzamido-N'-hydroxy-N-phenyloctanediamide is sourced from PubChem (CID 59033885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).