[2-oxo-2-(N-propan-2-ylanilino)ethyl] 4-(morpholin-4-ylmethyl)benzoate

C23H28N2O4 — CID 7769111

IUPAC[2-oxo-2-(N-propan-2-ylanilino)ethyl] 4-(morpholin-4-ylmethyl)benzoate
SMILESCC(C)N(C(=O)COC(=O)c1ccc(CN2CCOCC2)cc1)c1ccccc1
InChIInChI=1S/C23H28N2O4/c1-18(2)25(21-6-4-3-5-7-21)22(26)17-29-23(27)20-10-8-19(9-11-20)16-24-12-14-28-15-13-24/h3-11,18H,12-17H2,1-2H3
InChIKeyIUPAVDYETIDANK-UHFFFAOYSA-N
MW396.49 g/mol
LogP3.12
Rot. Bonds7

About [2-oxo-2-(N-propan-2-ylanilino)ethyl] 4-(morpholin-4-ylmethyl)benzoate

[2-oxo-2-(N-propan-2-ylanilino)ethyl] 4-(morpholin-4-ylmethyl)benzoate (PubChem CID 7769111) has the molecular formula C23H28N2O4 and a molecular weight of 396.49 g/mol. Its IUPAC name is [2-oxo-2-(N-propan-2-ylanilino)ethyl] 4-(morpholin-4-ylmethyl)benzoate.

Molecular Properties

Compound Name[2-oxo-2-(N-propan-2-ylanilino)ethyl] 4-(morpholin-4-ylmethyl)benzoate
PubChem CID7769111
Molecular FormulaC23H28N2O4
Molecular Weight396.49 g/mol
Exact Mass396.20
IUPAC Name[2-oxo-2-(N-propan-2-ylanilino)ethyl] 4-(morpholin-4-ylmethyl)benzoate
SMILESCC(C)N(C(=O)COC(=O)c1ccc(CN2CCOCC2)cc1)c1ccccc1
InChIInChI=1S/C23H28N2O4/c1-18(2)25(21-6-4-3-5-7-21)22(26)17-29-23(27)20-10-8-19(9-11-20)16-24-12-14-28-15-13-24/h3-11,18H,12-17H2,1-2H3
InChIKeyIUPAVDYETIDANK-UHFFFAOYSA-N
XLogP3.12
TPSA59.08 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.49
LogP ≤ 53.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

[2-oxo-2-(N-propan-2-ylanilino)ethyl] 4-[(1,3-dioxoisoindol-2-yl)methyl]benzoate
CID 46543538
[2-[[(2R)-3-methylbutan-2-yl]amino]-2-oxoethyl] 4-(morpholin-4-ylmethyl)benzoate
CID 7768690
2-methylpropanoyloxymethyl 4-(morpholin-4-ylmethyl)benzoate
CID 18710298
ethyl 4-[4-(morpholin-4-ylmethyl)benzoyl]benzoate
CID 24724227
methyl 4-(morpholin-4-ylmethyl)benzoate
CID 10466592
ethyl 4-[(Z)-2-[4-(morpholin-4-ylmethyl)phenyl]ethenyl]benzoate
CID 89048082
2-[2-(morpholin-4-ylmethyl)anilino]-N-phenyl-N-propan-2-ylacetamide
CID 55918198
[2-(2-fluoroanilino)-2-oxoethyl] 4-(morpholin-4-ylmethyl)benzoate
CID 7769445
[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl] 4-(morpholin-4-ylmethyl)benzoate
CID 7769284
[2-oxo-2-(N-propan-2-ylanilino)ethyl] 2,6-dichlorobenzoate
CID 55314052
[2-(naphthalen-1-ylamino)-2-oxoethyl] 4-(morpholin-4-ylmethyl)benzoate
CID 7769208
[2-[[(2R)-2-cyano-3-methylbutan-2-yl]amino]-2-oxoethyl] 4-(morpholin-4-ylmethyl)benzoate
CID 7768793

Frequently Asked Questions

What is the IUPAC name of [2-oxo-2-(N-propan-2-ylanilino)ethyl] 4-(morpholin-4-ylmethyl)benzoate?
The IUPAC name of [2-oxo-2-(N-propan-2-ylanilino)ethyl] 4-(morpholin-4-ylmethyl)benzoate (CID 7769111) is [2-oxo-2-(N-propan-2-ylanilino)ethyl] 4-(morpholin-4-ylmethyl)benzoate.
What is the SMILES notation for [2-oxo-2-(N-propan-2-ylanilino)ethyl] 4-(morpholin-4-ylmethyl)benzoate?
The canonical SMILES for [2-oxo-2-(N-propan-2-ylanilino)ethyl] 4-(morpholin-4-ylmethyl)benzoate is CC(C)N(C(=O)COC(=O)c1ccc(CN2CCOCC2)cc1)c1ccccc1.
What is the InChIKey of [2-oxo-2-(N-propan-2-ylanilino)ethyl] 4-(morpholin-4-ylmethyl)benzoate?
The InChIKey is IUPAVDYETIDANK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N2O4/c1-18(2)25(21-6-4-3-5-7-21)22(26)17-29-23(27)20-10-8-19(9-11-20)16-24-12-14-28-15-13-24/h3-11,18H,12-17H2,1-2H3.
What are the key properties of [2-oxo-2-(N-propan-2-ylanilino)ethyl] 4-(morpholin-4-ylmethyl)benzoate?
[2-oxo-2-(N-propan-2-ylanilino)ethyl] 4-(morpholin-4-ylmethyl)benzoate has a molecular weight of 396.49 g/mol, XLogP of 3.12, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-oxo-2-(N-propan-2-ylanilino)ethyl] 4-(morpholin-4-ylmethyl)benzoate is sourced from PubChem (CID 7769111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).