2-(4-benzyl-6,6-dimethyl-2-oxomorpholin-3-yl)-N-(4-propan-2-ylphenyl)acetamide

C24H30N2O3 — CID 53245300

IUPAC2-(4-benzyl-6,6-dimethyl-2-oxomorpholin-3-yl)-N-(4-propan-2-ylphenyl)acetamide
SMILESCC(C)c1ccc(NC(=O)CC2C(=O)OC(C)(C)CN2Cc2ccccc2)cc1
InChIInChI=1S/C24H30N2O3/c1-17(2)19-10-12-20(13-11-19)25-22(27)14-21-23(28)29-24(3,4)16-26(21)15-18-8-6-5-7-9-18/h5-13,17,21H,14-16H2,1-4H3,(H,25,27)
InChIKeyOQRKCADMEXTCPF-UHFFFAOYSA-N
MW394.52 g/mol
LogP4.34
Rot. Bonds6

About 2-(4-benzyl-6,6-dimethyl-2-oxomorpholin-3-yl)-N-(4-propan-2-ylphenyl)acetamide

2-(4-benzyl-6,6-dimethyl-2-oxomorpholin-3-yl)-N-(4-propan-2-ylphenyl)acetamide (PubChem CID 53245300) has the molecular formula C24H30N2O3 and a molecular weight of 394.52 g/mol. Its IUPAC name is 2-(4-benzyl-6,6-dimethyl-2-oxomorpholin-3-yl)-N-(4-propan-2-ylphenyl)acetamide.

Molecular Properties

Compound Name2-(4-benzyl-6,6-dimethyl-2-oxomorpholin-3-yl)-N-(4-propan-2-ylphenyl)acetamide
PubChem CID53245300
Molecular FormulaC24H30N2O3
Molecular Weight394.52 g/mol
Exact Mass394.23
IUPAC Name2-(4-benzyl-6,6-dimethyl-2-oxomorpholin-3-yl)-N-(4-propan-2-ylphenyl)acetamide
SMILESCC(C)c1ccc(NC(=O)CC2C(=O)OC(C)(C)CN2Cc2ccccc2)cc1
InChIInChI=1S/C24H30N2O3/c1-17(2)19-10-12-20(13-11-19)25-22(27)14-21-23(28)29-24(3,4)16-26(21)15-18-8-6-5-7-9-18/h5-13,17,21H,14-16H2,1-4H3,(H,25,27)
InChIKeyOQRKCADMEXTCPF-UHFFFAOYSA-N
XLogP4.34
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.52
LogP ≤ 54.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(4-benzyl-6,6-dimethyl-2-oxomorpholin-3-yl)-N-(4-propan-2-ylphenyl)acetamide?
The IUPAC name of 2-(4-benzyl-6,6-dimethyl-2-oxomorpholin-3-yl)-N-(4-propan-2-ylphenyl)acetamide (CID 53245300) is 2-(4-benzyl-6,6-dimethyl-2-oxomorpholin-3-yl)-N-(4-propan-2-ylphenyl)acetamide.
What is the SMILES notation for 2-(4-benzyl-6,6-dimethyl-2-oxomorpholin-3-yl)-N-(4-propan-2-ylphenyl)acetamide?
The canonical SMILES for 2-(4-benzyl-6,6-dimethyl-2-oxomorpholin-3-yl)-N-(4-propan-2-ylphenyl)acetamide is CC(C)c1ccc(NC(=O)CC2C(=O)OC(C)(C)CN2Cc2ccccc2)cc1.
What is the InChIKey of 2-(4-benzyl-6,6-dimethyl-2-oxomorpholin-3-yl)-N-(4-propan-2-ylphenyl)acetamide?
The InChIKey is OQRKCADMEXTCPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30N2O3/c1-17(2)19-10-12-20(13-11-19)25-22(27)14-21-23(28)29-24(3,4)16-26(21)15-18-8-6-5-7-9-18/h5-13,17,21H,14-16H2,1-4H3,(H,25,27).
What are the key properties of 2-(4-benzyl-6,6-dimethyl-2-oxomorpholin-3-yl)-N-(4-propan-2-ylphenyl)acetamide?
2-(4-benzyl-6,6-dimethyl-2-oxomorpholin-3-yl)-N-(4-propan-2-ylphenyl)acetamide has a molecular weight of 394.52 g/mol, XLogP of 4.34, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-benzyl-6,6-dimethyl-2-oxomorpholin-3-yl)-N-(4-propan-2-ylphenyl)acetamide is sourced from PubChem (CID 53245300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).