4-acetamido-N-(oxan-4-yl)-3-phenylmethoxybenzamide

C21H24N2O4 — CID 162655928

IUPAC4-acetamido-N-(oxan-4-yl)-3-phenylmethoxybenzamide
SMILESCC(=O)Nc1ccc(C(=O)NC2CCOCC2)cc1OCc1ccccc1
InChIInChI=1S/C21H24N2O4/c1-15(24)22-19-8-7-17(21(25)23-18-9-11-26-12-10-18)13-20(19)27-14-16-5-3-2-4-6-16/h2-8,13,18H,9-12,14H2,1H3,(H,22,24)(H,23,25)
InChIKeyDMKGEKLUTIMDSZ-UHFFFAOYSA-N
MW368.43 g/mol
LogP3.13
Rot. Bonds6

About 4-acetamido-N-(oxan-4-yl)-3-phenylmethoxybenzamide

4-acetamido-N-(oxan-4-yl)-3-phenylmethoxybenzamide (PubChem CID 162655928) has the molecular formula C21H24N2O4 and a molecular weight of 368.43 g/mol. Its IUPAC name is 4-acetamido-N-(oxan-4-yl)-3-phenylmethoxybenzamide.

Molecular Properties

Compound Name4-acetamido-N-(oxan-4-yl)-3-phenylmethoxybenzamide
PubChem CID162655928
Molecular FormulaC21H24N2O4
Molecular Weight368.43 g/mol
Exact Mass368.17
IUPAC Name4-acetamido-N-(oxan-4-yl)-3-phenylmethoxybenzamide
SMILESCC(=O)Nc1ccc(C(=O)NC2CCOCC2)cc1OCc1ccccc1
InChIInChI=1S/C21H24N2O4/c1-15(24)22-19-8-7-17(21(25)23-18-9-11-26-12-10-18)13-20(19)27-14-16-5-3-2-4-6-16/h2-8,13,18H,9-12,14H2,1H3,(H,22,24)(H,23,25)
InChIKeyDMKGEKLUTIMDSZ-UHFFFAOYSA-N
XLogP3.13
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.43
LogP ≤ 53.13
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-phenylmethoxybenzamide?
The IUPAC name of 4-acetamido-N-(oxan-4-yl)-3-phenylmethoxybenzamide (CID 162655928) is 4-acetamido-N-(oxan-4-yl)-3-phenylmethoxybenzamide.
What is the SMILES notation for 4-acetamido-N-(oxan-4-yl)-3-phenylmethoxybenzamide?
The canonical SMILES for 4-acetamido-N-(oxan-4-yl)-3-phenylmethoxybenzamide is CC(=O)Nc1ccc(C(=O)NC2CCOCC2)cc1OCc1ccccc1.
What is the InChIKey of 4-acetamido-N-(oxan-4-yl)-3-phenylmethoxybenzamide?
The InChIKey is DMKGEKLUTIMDSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N2O4/c1-15(24)22-19-8-7-17(21(25)23-18-9-11-26-12-10-18)13-20(19)27-14-16-5-3-2-4-6-16/h2-8,13,18H,9-12,14H2,1H3,(H,22,24)(H,23,25).
What are the key properties of 4-acetamido-N-(oxan-4-yl)-3-phenylmethoxybenzamide?
4-acetamido-N-(oxan-4-yl)-3-phenylmethoxybenzamide has a molecular weight of 368.43 g/mol, XLogP of 3.13, 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-phenylmethoxybenzamide is sourced from PubChem (CID 162655928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).