4-acetamido-N-(oxan-4-yl)-3-[(1S)-1-phenylethoxy]benzamide

C22H26N2O4 — CID 162676435

IUPAC4-acetamido-N-(oxan-4-yl)-3-[(1S)-1-phenylethoxy]benzamide
SMILESCC(=O)Nc1ccc(C(=O)NC2CCOCC2)cc1O[C@@H](C)c1ccccc1
InChIInChI=1S/C22H26N2O4/c1-15(17-6-4-3-5-7-17)28-21-14-18(8-9-20(21)23-16(2)25)22(26)24-19-10-12-27-13-11-19/h3-9,14-15,19H,10-13H2,1-2H3,(H,23,25)(H,24,26)/t15-/m0/s1
InChIKeyBOCNDIYYWAKZAC-HNNXBMFYSA-N
MW382.46 g/mol
LogP3.69
Rot. Bonds6

About 4-acetamido-N-(oxan-4-yl)-3-[(1S)-1-phenylethoxy]benzamide

4-acetamido-N-(oxan-4-yl)-3-[(1S)-1-phenylethoxy]benzamide (PubChem CID 162676435) has the molecular formula C22H26N2O4 and a molecular weight of 382.46 g/mol. Its IUPAC name is 4-acetamido-N-(oxan-4-yl)-3-[(1S)-1-phenylethoxy]benzamide.

Molecular Properties

Compound Name4-acetamido-N-(oxan-4-yl)-3-[(1S)-1-phenylethoxy]benzamide
PubChem CID162676435
Molecular FormulaC22H26N2O4
Molecular Weight382.46 g/mol
Exact Mass382.19
IUPAC Name4-acetamido-N-(oxan-4-yl)-3-[(1S)-1-phenylethoxy]benzamide
SMILESCC(=O)Nc1ccc(C(=O)NC2CCOCC2)cc1O[C@@H](C)c1ccccc1
InChIInChI=1S/C22H26N2O4/c1-15(17-6-4-3-5-7-17)28-21-14-18(8-9-20(21)23-16(2)25)22(26)24-19-10-12-27-13-11-19/h3-9,14-15,19H,10-13H2,1-2H3,(H,23,25)(H,24,26)/t15-/m0/s1
InChIKeyBOCNDIYYWAKZAC-HNNXBMFYSA-N
XLogP3.69
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.46
LogP ≤ 53.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-acetamido-N-(oxan-4-yl)-3-[(1S)-1-phenylethoxy]benzamide?
The IUPAC name of 4-acetamido-N-(oxan-4-yl)-3-[(1S)-1-phenylethoxy]benzamide (CID 162676435) is 4-acetamido-N-(oxan-4-yl)-3-[(1S)-1-phenylethoxy]benzamide.
What is the SMILES notation for 4-acetamido-N-(oxan-4-yl)-3-[(1S)-1-phenylethoxy]benzamide?
The canonical SMILES for 4-acetamido-N-(oxan-4-yl)-3-[(1S)-1-phenylethoxy]benzamide is CC(=O)Nc1ccc(C(=O)NC2CCOCC2)cc1O[C@@H](C)c1ccccc1.
What is the InChIKey of 4-acetamido-N-(oxan-4-yl)-3-[(1S)-1-phenylethoxy]benzamide?
The InChIKey is BOCNDIYYWAKZAC-HNNXBMFYSA-N. The full InChI is InChI=1S/C22H26N2O4/c1-15(17-6-4-3-5-7-17)28-21-14-18(8-9-20(21)23-16(2)25)22(26)24-19-10-12-27-13-11-19/h3-9,14-15,19H,10-13H2,1-2H3,(H,23,25)(H,24,26)/t15-/m0/s1.
What are the key properties of 4-acetamido-N-(oxan-4-yl)-3-[(1S)-1-phenylethoxy]benzamide?
4-acetamido-N-(oxan-4-yl)-3-[(1S)-1-phenylethoxy]benzamide has a molecular weight of 382.46 g/mol, XLogP of 3.69, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-acetamido-N-(oxan-4-yl)-3-[(1S)-1-phenylethoxy]benzamide is sourced from PubChem (CID 162676435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).