4-[6-[2-(4-chlorophenoxy)acetyl]-3-oxo-1,4-benzoxazin-4-yl]-N-propan-2-ylbutanamide

C23H25ClN2O5 — CID 42846769

IUPAC4-[6-[2-(4-chlorophenoxy)acetyl]-3-oxo-1,4-benzoxazin-4-yl]-N-propan-2-ylbutanamide
SMILESCC(C)NC(=O)CCCN1C(=O)COc2ccc(C(=O)COc3ccc(Cl)cc3)cc21
InChIInChI=1S/C23H25ClN2O5/c1-15(2)25-22(28)4-3-11-26-19-12-16(5-10-21(19)31-14-23(26)29)20(27)13-30-18-8-6-17(24)7-9-18/h5-10,12,15H,3-4,11,13-14H2,1-2H3,(H,25,28)
InChIKeyRCLSGVOMYQLIPQ-UHFFFAOYSA-N
MW444.92 g/mol
LogP3.63
Rot. Bonds9

About 4-[6-[2-(4-chlorophenoxy)acetyl]-3-oxo-1,4-benzoxazin-4-yl]-N-propan-2-ylbutanamide

4-[6-[2-(4-chlorophenoxy)acetyl]-3-oxo-1,4-benzoxazin-4-yl]-N-propan-2-ylbutanamide (PubChem CID 42846769) has the molecular formula C23H25ClN2O5 and a molecular weight of 444.92 g/mol. Its IUPAC name is 4-[6-[2-(4-chlorophenoxy)acetyl]-3-oxo-1,4-benzoxazin-4-yl]-N-propan-2-ylbutanamide.

Molecular Properties

Compound Name4-[6-[2-(4-chlorophenoxy)acetyl]-3-oxo-1,4-benzoxazin-4-yl]-N-propan-2-ylbutanamide
PubChem CID42846769
Molecular FormulaC23H25ClN2O5
Molecular Weight444.92 g/mol
Exact Mass444.15
IUPAC Name4-[6-[2-(4-chlorophenoxy)acetyl]-3-oxo-1,4-benzoxazin-4-yl]-N-propan-2-ylbutanamide
SMILESCC(C)NC(=O)CCCN1C(=O)COc2ccc(C(=O)COc3ccc(Cl)cc3)cc21
InChIInChI=1S/C23H25ClN2O5/c1-15(2)25-22(28)4-3-11-26-19-12-16(5-10-21(19)31-14-23(26)29)20(27)13-30-18-8-6-17(24)7-9-18/h5-10,12,15H,3-4,11,13-14H2,1-2H3,(H,25,28)
InChIKeyRCLSGVOMYQLIPQ-UHFFFAOYSA-N
XLogP3.63
TPSA84.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.92
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 4-[6-[2-(4-chlorophenoxy)acetyl]-3-oxo-1,4-benzoxazin-4-yl]-N-propan-2-ylbutanamide with MolForge

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Related Compounds

4-[6-[2-(3-methoxyphenoxy)acetyl]-3-oxo-1,4-benzoxazin-4-yl]-N-propan-2-ylbutanamide
CID 42846775
4-[6-[2-(3-methylphenoxy)acetyl]-3-oxo-1,4-benzoxazin-4-yl]-N-propan-2-ylbutanamide
CID 42846807
4-[6-[2-(3-ethylphenoxy)acetyl]-3-oxo-1,4-benzoxazin-4-yl]-N-propan-2-ylbutanamide
CID 42846779
N-butyl-4-[6-[2-(4-methylphenoxy)acetyl]-3-oxo-1,4-benzoxazin-4-yl]butanamide
CID 42846860
2-[6-[2-(4-chlorophenoxy)acetyl]-3-oxo-1,4-benzoxazin-4-yl]-N-(1-phenylethyl)acetamide
CID 46035544
2-[6-[2-(4-chlorophenoxy)acetyl]-3-oxo-1,4-benzoxazin-4-yl]-N-[(1R)-1-phenylethyl]acetamide
CID 93319628
N-ethyl-N-methyl-4-[3-oxo-6-[2-(4-propan-2-ylphenoxy)acetyl]-1,4-benzoxazin-4-yl]butanamide
CID 46155229
2-[6-[2-(4-chloro-2-methylphenoxy)acetyl]-3-oxo-1,4-benzoxazin-4-yl]-N-propan-2-ylacetamide
CID 42846646
4-[3-oxo-6-(2-phenoxyacetyl)-1,4-benzoxazin-4-yl]-N-(2-pyrrolidin-1-ylethyl)butanamide
CID 42846833
4-[6-[2-(4-ethylphenoxy)acetyl]-3-oxo-1,4-benzoxazin-4-yl]-N-[[(2R)-oxolan-2-yl]methyl]butanamide
CID 93319592
4-[6-[2-(4-methylphenoxy)acetyl]-3-oxo-1,4-benzoxazin-4-yl]-N-(pyridin-2-ylmethyl)butanamide
CID 42846857
2-[6-[2-(4-chlorophenoxy)acetyl]-3-oxo-1,4-benzoxazin-4-yl]-N-(2-morpholin-4-ylethyl)acetamide
CID 46035540

Frequently Asked Questions

What is the IUPAC name of 4-[6-[2-(4-chlorophenoxy)acetyl]-3-oxo-1,4-benzoxazin-4-yl]-N-propan-2-ylbutanamide?
The IUPAC name of 4-[6-[2-(4-chlorophenoxy)acetyl]-3-oxo-1,4-benzoxazin-4-yl]-N-propan-2-ylbutanamide (CID 42846769) is 4-[6-[2-(4-chlorophenoxy)acetyl]-3-oxo-1,4-benzoxazin-4-yl]-N-propan-2-ylbutanamide.
What is the SMILES notation for 4-[6-[2-(4-chlorophenoxy)acetyl]-3-oxo-1,4-benzoxazin-4-yl]-N-propan-2-ylbutanamide?
The canonical SMILES for 4-[6-[2-(4-chlorophenoxy)acetyl]-3-oxo-1,4-benzoxazin-4-yl]-N-propan-2-ylbutanamide is CC(C)NC(=O)CCCN1C(=O)COc2ccc(C(=O)COc3ccc(Cl)cc3)cc21.
What is the InChIKey of 4-[6-[2-(4-chlorophenoxy)acetyl]-3-oxo-1,4-benzoxazin-4-yl]-N-propan-2-ylbutanamide?
The InChIKey is RCLSGVOMYQLIPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25ClN2O5/c1-15(2)25-22(28)4-3-11-26-19-12-16(5-10-21(19)31-14-23(26)29)20(27)13-30-18-8-6-17(24)7-9-18/h5-10,12,15H,3-4,11,13-14H2,1-2H3,(H,25,28).
What are the key properties of 4-[6-[2-(4-chlorophenoxy)acetyl]-3-oxo-1,4-benzoxazin-4-yl]-N-propan-2-ylbutanamide?
4-[6-[2-(4-chlorophenoxy)acetyl]-3-oxo-1,4-benzoxazin-4-yl]-N-propan-2-ylbutanamide has a molecular weight of 444.92 g/mol, XLogP of 3.63, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[6-[2-(4-chlorophenoxy)acetyl]-3-oxo-1,4-benzoxazin-4-yl]-N-propan-2-ylbutanamide is sourced from PubChem (CID 42846769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).