[2-[4-(morpholin-4-ylmethyl)anilino]-2-oxoethyl] 2-phenylbenzoate

C26H26N2O4 — CID 55530061

IUPAC[2-[4-(morpholin-4-ylmethyl)anilino]-2-oxoethyl] 2-phenylbenzoate
SMILESO=C(COC(=O)c1ccccc1-c1ccccc1)Nc1ccc(CN2CCOCC2)cc1
InChIInChI=1S/C26H26N2O4/c29-25(27-22-12-10-20(11-13-22)18-28-14-16-31-17-15-28)19-32-26(30)24-9-5-4-8-23(24)21-6-2-1-3-7-21/h1-13H,14-19H2,(H,27,29)
InChIKeyFUUOOLUYTHBIFX-UHFFFAOYSA-N
MW430.50 g/mol
LogP3.98
Rot. Bonds7

About [2-[4-(morpholin-4-ylmethyl)anilino]-2-oxoethyl] 2-phenylbenzoate

[2-[4-(morpholin-4-ylmethyl)anilino]-2-oxoethyl] 2-phenylbenzoate (PubChem CID 55530061) has the molecular formula C26H26N2O4 and a molecular weight of 430.50 g/mol. Its IUPAC name is [2-[4-(morpholin-4-ylmethyl)anilino]-2-oxoethyl] 2-phenylbenzoate.

Molecular Properties

Compound Name[2-[4-(morpholin-4-ylmethyl)anilino]-2-oxoethyl] 2-phenylbenzoate
PubChem CID55530061
Molecular FormulaC26H26N2O4
Molecular Weight430.50 g/mol
Exact Mass430.19
IUPAC Name[2-[4-(morpholin-4-ylmethyl)anilino]-2-oxoethyl] 2-phenylbenzoate
SMILESO=C(COC(=O)c1ccccc1-c1ccccc1)Nc1ccc(CN2CCOCC2)cc1
InChIInChI=1S/C26H26N2O4/c29-25(27-22-12-10-20(11-13-22)18-28-14-16-31-17-15-28)19-32-26(30)24-9-5-4-8-23(24)21-6-2-1-3-7-21/h1-13H,14-19H2,(H,27,29)
InChIKeyFUUOOLUYTHBIFX-UHFFFAOYSA-N
XLogP3.98
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.50
LogP ≤ 53.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[2-(4-acetamidoanilino)-2-oxoethyl] 2-phenylbenzoate
CID 7229255
[2-[4-(morpholin-4-ylmethyl)anilino]-2-oxoethyl] 3-methyl-2-phenylquinoline-4-carboxylate
CID 24518314
[2-[4-(morpholin-4-ylmethyl)anilino]-2-oxoethyl] 5-chloro-2-nitrobenzoate
CID 26165130
[2-[4-(morpholin-4-ylmethyl)anilino]-2-oxoethyl] 2-chloro-5-methylsulfanylbenzoate
CID 26165035
2-methoxy-N-[4-(morpholin-4-ylmethyl)phenyl]acetamide
CID 60656764
[2-[4-(4-benzylpiperazin-1-yl)anilino]-2-oxoethyl] 2-chlorobenzoate
CID 46508962
[2-[4-(morpholin-4-ylmethyl)anilino]-2-oxoethyl] 2-(4-phenylmethoxyphenoxy)acetate
CID 24518315
2-amino-N-[4-(morpholin-4-ylmethyl)phenyl]acetamide
CID 60672694
[2-[4-(morpholin-4-ylmethyl)anilino]-2-oxoethyl] 2-[(2-chlorobenzoyl)amino]-3-methylbutanoate
CID 154773903
[2-[4-(morpholin-4-ylmethyl)anilino]-2-oxoethyl] 3-pyrrol-1-ylthiophene-2-carboxylate
CID 17476112
[2-[4-(morpholin-4-ylmethyl)anilino]-2-oxoethyl] 7,8,9,10-tetrahydro-6H-cyclohepta[b]quinoline-11-carboxylate
CID 55442005
2-(2-ethoxyphenoxy)-N-[4-(morpholin-4-ylmethyl)phenyl]acetamide
CID 108754559

Frequently Asked Questions

What is the IUPAC name of [2-[4-(morpholin-4-ylmethyl)anilino]-2-oxoethyl] 2-phenylbenzoate?
The IUPAC name of [2-[4-(morpholin-4-ylmethyl)anilino]-2-oxoethyl] 2-phenylbenzoate (CID 55530061) is [2-[4-(morpholin-4-ylmethyl)anilino]-2-oxoethyl] 2-phenylbenzoate.
What is the SMILES notation for [2-[4-(morpholin-4-ylmethyl)anilino]-2-oxoethyl] 2-phenylbenzoate?
The canonical SMILES for [2-[4-(morpholin-4-ylmethyl)anilino]-2-oxoethyl] 2-phenylbenzoate is O=C(COC(=O)c1ccccc1-c1ccccc1)Nc1ccc(CN2CCOCC2)cc1.
What is the InChIKey of [2-[4-(morpholin-4-ylmethyl)anilino]-2-oxoethyl] 2-phenylbenzoate?
The InChIKey is FUUOOLUYTHBIFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H26N2O4/c29-25(27-22-12-10-20(11-13-22)18-28-14-16-31-17-15-28)19-32-26(30)24-9-5-4-8-23(24)21-6-2-1-3-7-21/h1-13H,14-19H2,(H,27,29).
What are the key properties of [2-[4-(morpholin-4-ylmethyl)anilino]-2-oxoethyl] 2-phenylbenzoate?
[2-[4-(morpholin-4-ylmethyl)anilino]-2-oxoethyl] 2-phenylbenzoate has a molecular weight of 430.50 g/mol, XLogP of 3.98, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[4-(morpholin-4-ylmethyl)anilino]-2-oxoethyl] 2-phenylbenzoate is sourced from PubChem (CID 55530061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).