3-[2-[4-(2,6-dimethylmorpholine-4-carbonyl)anilino]ethyl]-1,3-benzoxazol-2-one

C22H25N3O4 — CID 60538842

IUPAC3-[2-[4-(2,6-dimethylmorpholine-4-carbonyl)anilino]ethyl]-1,3-benzoxazol-2-one
SMILESCC1CN(C(=O)c2ccc(NCCn3c(=O)oc4ccccc43)cc2)CC(C)O1
InChIInChI=1S/C22H25N3O4/c1-15-13-24(14-16(2)28-15)21(26)17-7-9-18(10-8-17)23-11-12-25-19-5-3-4-6-20(19)29-22(25)27/h3-10,15-16,23H,11-14H2,1-2H3
InChIKeyCAORCVMDUJAUGP-UHFFFAOYSA-N
MW395.46 g/mol
LogP2.96
Rot. Bonds5

About 3-[2-[4-(2,6-dimethylmorpholine-4-carbonyl)anilino]ethyl]-1,3-benzoxazol-2-one

3-[2-[4-(2,6-dimethylmorpholine-4-carbonyl)anilino]ethyl]-1,3-benzoxazol-2-one (PubChem CID 60538842) has the molecular formula C22H25N3O4 and a molecular weight of 395.46 g/mol. Its IUPAC name is 3-[2-[4-(2,6-dimethylmorpholine-4-carbonyl)anilino]ethyl]-1,3-benzoxazol-2-one.

Molecular Properties

Compound Name3-[2-[4-(2,6-dimethylmorpholine-4-carbonyl)anilino]ethyl]-1,3-benzoxazol-2-one
PubChem CID60538842
Molecular FormulaC22H25N3O4
Molecular Weight395.46 g/mol
Exact Mass395.18
IUPAC Name3-[2-[4-(2,6-dimethylmorpholine-4-carbonyl)anilino]ethyl]-1,3-benzoxazol-2-one
SMILESCC1CN(C(=O)c2ccc(NCCn3c(=O)oc4ccccc43)cc2)CC(C)O1
InChIInChI=1S/C22H25N3O4/c1-15-13-24(14-16(2)28-15)21(26)17-7-9-18(10-8-17)23-11-12-25-19-5-3-4-6-20(19)29-22(25)27/h3-10,15-16,23H,11-14H2,1-2H3
InChIKeyCAORCVMDUJAUGP-UHFFFAOYSA-N
XLogP2.96
TPSA76.71 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.46
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

(2,6-dimethylmorpholin-4-yl)-[4-(propylamino)phenyl]methanone
CID 62170653
(2,6-dimethylmorpholin-4-yl)-[4-(ethylamino)phenyl]methanone
CID 62170652
[(2R,6R)-2,6-dimethylmorpholin-4-yl]-[4-[2-[(2S)-oxolan-2-yl]ethylamino]phenyl]methanone
CID 99828580
[4-(2,6-dimethylmorpholine-4-carbonyl)phenyl]-(2,6-dimethylmorpholin-4-yl)methanone
CID 618918
3-[[(2S,6R)-2,6-dimethylmorpholin-4-yl]methyl]-1,3-benzoxazol-2-one
CID 25377942
methyl 2-[4-[(2S,6R)-2,6-dimethylmorpholine-4-carbonyl]anilino]acetate
CID 94631757
3-[4-[(2S)-2-methylmorpholin-4-yl]-4-oxobutyl]-1,3-benzoxazol-2-one
CID 30035276
4-[[4-(2,6-dimethylmorpholine-4-carbonyl)anilino]methyl]benzoic acid
CID 122033835
1-(azocan-1-yl)-2-[4-[(2S,6S)-2,6-dimethylmorpholine-4-carbonyl]anilino]ethanone
CID 94631749
[(2R,6R)-2,6-dimethylmorpholin-4-yl]-(4-phenylphenyl)methanone
CID 7316313
(2,6-dimethylmorpholin-4-yl)-(4-phenylphenyl)methanone
CID 3118736
N-(2-bromophenyl)-2-[4-(2,6-dimethylmorpholine-4-carbonyl)anilino]acetamide
CID 60538677

Frequently Asked Questions

What is the IUPAC name of 3-[2-[4-(2,6-dimethylmorpholine-4-carbonyl)anilino]ethyl]-1,3-benzoxazol-2-one?
The IUPAC name of 3-[2-[4-(2,6-dimethylmorpholine-4-carbonyl)anilino]ethyl]-1,3-benzoxazol-2-one (CID 60538842) is 3-[2-[4-(2,6-dimethylmorpholine-4-carbonyl)anilino]ethyl]-1,3-benzoxazol-2-one.
What is the SMILES notation for 3-[2-[4-(2,6-dimethylmorpholine-4-carbonyl)anilino]ethyl]-1,3-benzoxazol-2-one?
The canonical SMILES for 3-[2-[4-(2,6-dimethylmorpholine-4-carbonyl)anilino]ethyl]-1,3-benzoxazol-2-one is CC1CN(C(=O)c2ccc(NCCn3c(=O)oc4ccccc43)cc2)CC(C)O1.
What is the InChIKey of 3-[2-[4-(2,6-dimethylmorpholine-4-carbonyl)anilino]ethyl]-1,3-benzoxazol-2-one?
The InChIKey is CAORCVMDUJAUGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N3O4/c1-15-13-24(14-16(2)28-15)21(26)17-7-9-18(10-8-17)23-11-12-25-19-5-3-4-6-20(19)29-22(25)27/h3-10,15-16,23H,11-14H2,1-2H3.
What are the key properties of 3-[2-[4-(2,6-dimethylmorpholine-4-carbonyl)anilino]ethyl]-1,3-benzoxazol-2-one?
3-[2-[4-(2,6-dimethylmorpholine-4-carbonyl)anilino]ethyl]-1,3-benzoxazol-2-one has a molecular weight of 395.46 g/mol, XLogP of 2.96, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[4-(2,6-dimethylmorpholine-4-carbonyl)anilino]ethyl]-1,3-benzoxazol-2-one is sourced from PubChem (CID 60538842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).