4-(2,3-dihydro-1,4-benzoxazin-4-yl)-N-[[4-(4-fluorophenyl)oxan-4-yl]methyl]-4-oxobutanamide

C24H27FN2O4 — CID 56562979

IUPAC4-(2,3-dihydro-1,4-benzoxazin-4-yl)-N-[[4-(4-fluorophenyl)oxan-4-yl]methyl]-4-oxobutanamide
SMILESO=C(CCC(=O)N1CCOc2ccccc21)NCC1(c2ccc(F)cc2)CCOCC1
InChIInChI=1S/C24H27FN2O4/c25-19-7-5-18(6-8-19)24(11-14-30-15-12-24)17-26-22(28)9-10-23(29)27-13-16-31-21-4-2-1-3-20(21)27/h1-8H,9-17H2,(H,26,28)
InChIKeyWTEMMEOERMZJQA-UHFFFAOYSA-N
MW426.49 g/mol
LogP3.20
Rot. Bonds6

About 4-(2,3-dihydro-1,4-benzoxazin-4-yl)-N-[[4-(4-fluorophenyl)oxan-4-yl]methyl]-4-oxobutanamide

4-(2,3-dihydro-1,4-benzoxazin-4-yl)-N-[[4-(4-fluorophenyl)oxan-4-yl]methyl]-4-oxobutanamide (PubChem CID 56562979) has the molecular formula C24H27FN2O4 and a molecular weight of 426.49 g/mol. Its IUPAC name is 4-(2,3-dihydro-1,4-benzoxazin-4-yl)-N-[[4-(4-fluorophenyl)oxan-4-yl]methyl]-4-oxobutanamide.

Molecular Properties

Compound Name4-(2,3-dihydro-1,4-benzoxazin-4-yl)-N-[[4-(4-fluorophenyl)oxan-4-yl]methyl]-4-oxobutanamide
PubChem CID56562979
Molecular FormulaC24H27FN2O4
Molecular Weight426.49 g/mol
Exact Mass426.20
IUPAC Name4-(2,3-dihydro-1,4-benzoxazin-4-yl)-N-[[4-(4-fluorophenyl)oxan-4-yl]methyl]-4-oxobutanamide
SMILESO=C(CCC(=O)N1CCOc2ccccc21)NCC1(c2ccc(F)cc2)CCOCC1
InChIInChI=1S/C24H27FN2O4/c25-19-7-5-18(6-8-19)24(11-14-30-15-12-24)17-26-22(28)9-10-23(29)27-13-16-31-21-4-2-1-3-20(21)27/h1-8H,9-17H2,(H,26,28)
InChIKeyWTEMMEOERMZJQA-UHFFFAOYSA-N
XLogP3.20
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.49
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 4-(2,3-dihydro-1,4-benzoxazin-4-yl)-N-[[4-(4-fluorophenyl)oxan-4-yl]methyl]-4-oxobutanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[[4-(4-fluorophenyl)oxan-4-yl]methyl]-4-oxo-4-phenylbutanamide
CID 47070990
4-(2,3-dihydro-1,4-benzoxazin-4-yl)-N-[1-(4-fluorophenyl)-2,2-dimethylpropyl]-4-oxobutanamide
CID 56583090
4-(2,3-dihydro-1,4-benzoxazin-4-yl)-4-oxo-N-prop-2-ynylbutanamide
CID 56782570
4-amino-N-[[4-(4-fluorophenyl)oxan-4-yl]methyl]pentanamide
CID 120561270
3-ethylsulfanyl-N-[[4-(4-fluorophenyl)oxan-4-yl]methyl]propanamide
CID 47070997
N-[[4-(4-fluorophenyl)oxan-4-yl]methyl]benzamide
CID 27450186
4-(2,3-dihydro-1,4-benzoxazin-4-yl)-N-[[3-(morpholin-4-ylmethyl)phenyl]methyl]-4-oxobutanamide
CID 56562872
4-(2,3-dihydro-1,4-benzoxazin-4-yl)-N-[(2S)-1-hydroxypropan-2-yl]-4-oxobutanamide
CID 97237050
3-amino-N-[[1-(4-fluorophenyl)cyclopropyl]methyl]propanamide
CID 110478929
N-[3-(7-fluoro-2,3-dihydro-1,4-benzoxazin-4-yl)-3-oxopropyl]-2-phenylacetamide
CID 56792455
N-[[2-(diethylaminomethyl)phenyl]methyl]-4-(2,3-dihydro-1,4-benzoxazin-4-yl)-4-oxobutanamide
CID 56559617
4-(2,3-dihydro-1,4-benzoxazin-4-yl)-N-[(4-methylsulfonylphenyl)methyl]-4-oxobutanamide
CID 56567258

Frequently Asked Questions

What is the IUPAC name of 4-(2,3-dihydro-1,4-benzoxazin-4-yl)-N-[[4-(4-fluorophenyl)oxan-4-yl]methyl]-4-oxobutanamide?
The IUPAC name of 4-(2,3-dihydro-1,4-benzoxazin-4-yl)-N-[[4-(4-fluorophenyl)oxan-4-yl]methyl]-4-oxobutanamide (CID 56562979) is 4-(2,3-dihydro-1,4-benzoxazin-4-yl)-N-[[4-(4-fluorophenyl)oxan-4-yl]methyl]-4-oxobutanamide.
What is the SMILES notation for 4-(2,3-dihydro-1,4-benzoxazin-4-yl)-N-[[4-(4-fluorophenyl)oxan-4-yl]methyl]-4-oxobutanamide?
The canonical SMILES for 4-(2,3-dihydro-1,4-benzoxazin-4-yl)-N-[[4-(4-fluorophenyl)oxan-4-yl]methyl]-4-oxobutanamide is O=C(CCC(=O)N1CCOc2ccccc21)NCC1(c2ccc(F)cc2)CCOCC1.
What is the InChIKey of 4-(2,3-dihydro-1,4-benzoxazin-4-yl)-N-[[4-(4-fluorophenyl)oxan-4-yl]methyl]-4-oxobutanamide?
The InChIKey is WTEMMEOERMZJQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27FN2O4/c25-19-7-5-18(6-8-19)24(11-14-30-15-12-24)17-26-22(28)9-10-23(29)27-13-16-31-21-4-2-1-3-20(21)27/h1-8H,9-17H2,(H,26,28).
What are the key properties of 4-(2,3-dihydro-1,4-benzoxazin-4-yl)-N-[[4-(4-fluorophenyl)oxan-4-yl]methyl]-4-oxobutanamide?
4-(2,3-dihydro-1,4-benzoxazin-4-yl)-N-[[4-(4-fluorophenyl)oxan-4-yl]methyl]-4-oxobutanamide has a molecular weight of 426.49 g/mol, XLogP of 3.20, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,3-dihydro-1,4-benzoxazin-4-yl)-N-[[4-(4-fluorophenyl)oxan-4-yl]methyl]-4-oxobutanamide is sourced from PubChem (CID 56562979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).