N-[(2S,4R,6S)-2-benzyl-6-(1-methylimidazol-2-yl)oxan-4-yl]benzamide

C23H25N3O2 — CID 50961972

IUPACN-[(2S,4R,6S)-2-benzyl-6-(1-methylimidazol-2-yl)oxan-4-yl]benzamide
SMILESCn1ccnc1[C@@H]1C[C@H](NC(=O)c2ccccc2)C[C@H](Cc2ccccc2)O1
InChIInChI=1S/C23H25N3O2/c1-26-13-12-24-22(26)21-16-19(25-23(27)18-10-6-3-7-11-18)15-20(28-21)14-17-8-4-2-5-9-17/h2-13,19-21H,14-16H2,1H3,(H,25,27)/t19-,20+,21+/m1/s1
InChIKeyKKNFPSBKRQIEAS-HKBOAZHASA-N
MW375.47 g/mol
LogP3.68
Rot. Bonds5

About N-[(2S,4R,6S)-2-benzyl-6-(1-methylimidazol-2-yl)oxan-4-yl]benzamide

N-[(2S,4R,6S)-2-benzyl-6-(1-methylimidazol-2-yl)oxan-4-yl]benzamide (PubChem CID 50961972) has the molecular formula C23H25N3O2 and a molecular weight of 375.47 g/mol. Its IUPAC name is N-[(2S,4R,6S)-2-benzyl-6-(1-methylimidazol-2-yl)oxan-4-yl]benzamide.

Molecular Properties

Compound NameN-[(2S,4R,6S)-2-benzyl-6-(1-methylimidazol-2-yl)oxan-4-yl]benzamide
PubChem CID50961972
Molecular FormulaC23H25N3O2
Molecular Weight375.47 g/mol
Exact Mass375.19
IUPAC NameN-[(2S,4R,6S)-2-benzyl-6-(1-methylimidazol-2-yl)oxan-4-yl]benzamide
SMILESCn1ccnc1[C@@H]1C[C@H](NC(=O)c2ccccc2)C[C@H](Cc2ccccc2)O1
InChIInChI=1S/C23H25N3O2/c1-26-13-12-24-22(26)21-16-19(25-23(27)18-10-6-3-7-11-18)15-20(28-21)14-17-8-4-2-5-9-17/h2-13,19-21H,14-16H2,1H3,(H,25,27)/t19-,20+,21+/m1/s1
InChIKeyKKNFPSBKRQIEAS-HKBOAZHASA-N
XLogP3.68
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.47
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(2S,4R,6S)-2-benzyl-6-(1-methylimidazol-2-yl)oxan-4-yl]benzamide?
The IUPAC name of N-[(2S,4R,6S)-2-benzyl-6-(1-methylimidazol-2-yl)oxan-4-yl]benzamide (CID 50961972) is N-[(2S,4R,6S)-2-benzyl-6-(1-methylimidazol-2-yl)oxan-4-yl]benzamide.
What is the SMILES notation for N-[(2S,4R,6S)-2-benzyl-6-(1-methylimidazol-2-yl)oxan-4-yl]benzamide?
The canonical SMILES for N-[(2S,4R,6S)-2-benzyl-6-(1-methylimidazol-2-yl)oxan-4-yl]benzamide is Cn1ccnc1[C@@H]1C[C@H](NC(=O)c2ccccc2)C[C@H](Cc2ccccc2)O1.
What is the InChIKey of N-[(2S,4R,6S)-2-benzyl-6-(1-methylimidazol-2-yl)oxan-4-yl]benzamide?
The InChIKey is KKNFPSBKRQIEAS-HKBOAZHASA-N. The full InChI is InChI=1S/C23H25N3O2/c1-26-13-12-24-22(26)21-16-19(25-23(27)18-10-6-3-7-11-18)15-20(28-21)14-17-8-4-2-5-9-17/h2-13,19-21H,14-16H2,1H3,(H,25,27)/t19-,20+,21+/m1/s1.
What are the key properties of N-[(2S,4R,6S)-2-benzyl-6-(1-methylimidazol-2-yl)oxan-4-yl]benzamide?
N-[(2S,4R,6S)-2-benzyl-6-(1-methylimidazol-2-yl)oxan-4-yl]benzamide has a molecular weight of 375.47 g/mol, XLogP of 3.68, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S,4R,6S)-2-benzyl-6-(1-methylimidazol-2-yl)oxan-4-yl]benzamide is sourced from PubChem (CID 50961972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).