(2R)-N'-hydroxy-N-[(3S)-2-oxooxolan-3-yl]-2-[3-(4-phenylphenyl)propyl]butanediamide

C23H26N2O5 — CID 57202141

IUPAC(2R)-N'-hydroxy-N-[(3S)-2-oxooxolan-3-yl]-2-[3-(4-phenylphenyl)propyl]butanediamide
SMILESO=C(C[C@@H](CCCc1ccc(-c2ccccc2)cc1)C(=O)N[C@H]1CCOC1=O)NO
InChIInChI=1S/C23H26N2O5/c26-21(25-29)15-19(22(27)24-20-13-14-30-23(20)28)8-4-5-16-9-11-18(12-10-16)17-6-2-1-3-7-17/h1-3,6-7,9-12,19-20,29H,4-5,8,13-15H2,(H,24,27)(H,25,26)/t19-,20+/m1/s1
InChIKeyCKLMUSYKJXHWPX-UXHICEINSA-N
MW410.47 g/mol
LogP2.62
Rot. Bonds9

About (2R)-N'-hydroxy-N-[(3S)-2-oxooxolan-3-yl]-2-[3-(4-phenylphenyl)propyl]butanediamide

(2R)-N'-hydroxy-N-[(3S)-2-oxooxolan-3-yl]-2-[3-(4-phenylphenyl)propyl]butanediamide (PubChem CID 57202141) has the molecular formula C23H26N2O5 and a molecular weight of 410.47 g/mol. Its IUPAC name is (2R)-N'-hydroxy-N-[(3S)-2-oxooxolan-3-yl]-2-[3-(4-phenylphenyl)propyl]butanediamide.

Molecular Properties

Compound Name(2R)-N'-hydroxy-N-[(3S)-2-oxooxolan-3-yl]-2-[3-(4-phenylphenyl)propyl]butanediamide
PubChem CID57202141
Molecular FormulaC23H26N2O5
Molecular Weight410.47 g/mol
Exact Mass410.18
IUPAC Name(2R)-N'-hydroxy-N-[(3S)-2-oxooxolan-3-yl]-2-[3-(4-phenylphenyl)propyl]butanediamide
SMILESO=C(C[C@@H](CCCc1ccc(-c2ccccc2)cc1)C(=O)N[C@H]1CCOC1=O)NO
InChIInChI=1S/C23H26N2O5/c26-21(25-29)15-19(22(27)24-20-13-14-30-23(20)28)8-4-5-16-9-11-18(12-10-16)17-6-2-1-3-7-17/h1-3,6-7,9-12,19-20,29H,4-5,8,13-15H2,(H,24,27)(H,25,26)/t19-,20+/m1/s1
InChIKeyCKLMUSYKJXHWPX-UXHICEINSA-N
XLogP2.62
TPSA104.73 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.47
LogP ≤ 52.62
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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 (2R)-N'-hydroxy-N-[(3S)-2-oxooxolan-3-yl]-2-[3-(4-phenylphenyl)propyl]butanediamide?
The IUPAC name of (2R)-N'-hydroxy-N-[(3S)-2-oxooxolan-3-yl]-2-[3-(4-phenylphenyl)propyl]butanediamide (CID 57202141) is (2R)-N'-hydroxy-N-[(3S)-2-oxooxolan-3-yl]-2-[3-(4-phenylphenyl)propyl]butanediamide.
What is the SMILES notation for (2R)-N'-hydroxy-N-[(3S)-2-oxooxolan-3-yl]-2-[3-(4-phenylphenyl)propyl]butanediamide?
The canonical SMILES for (2R)-N'-hydroxy-N-[(3S)-2-oxooxolan-3-yl]-2-[3-(4-phenylphenyl)propyl]butanediamide is O=C(C[C@@H](CCCc1ccc(-c2ccccc2)cc1)C(=O)N[C@H]1CCOC1=O)NO.
What is the InChIKey of (2R)-N'-hydroxy-N-[(3S)-2-oxooxolan-3-yl]-2-[3-(4-phenylphenyl)propyl]butanediamide?
The InChIKey is CKLMUSYKJXHWPX-UXHICEINSA-N. The full InChI is InChI=1S/C23H26N2O5/c26-21(25-29)15-19(22(27)24-20-13-14-30-23(20)28)8-4-5-16-9-11-18(12-10-16)17-6-2-1-3-7-17/h1-3,6-7,9-12,19-20,29H,4-5,8,13-15H2,(H,24,27)(H,25,26)/t19-,20+/m1/s1.
What are the key properties of (2R)-N'-hydroxy-N-[(3S)-2-oxooxolan-3-yl]-2-[3-(4-phenylphenyl)propyl]butanediamide?
(2R)-N'-hydroxy-N-[(3S)-2-oxooxolan-3-yl]-2-[3-(4-phenylphenyl)propyl]butanediamide has a molecular weight of 410.47 g/mol, XLogP of 2.62, 9 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N'-hydroxy-N-[(3S)-2-oxooxolan-3-yl]-2-[3-(4-phenylphenyl)propyl]butanediamide is sourced from PubChem (CID 57202141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).