methyl 2-[2-[(2-morpholin-4-ylphenyl)methylamino]-2-oxoethyl]benzoate

C21H24N2O4 — CID 75440397

IUPACmethyl 2-[2-[(2-morpholin-4-ylphenyl)methylamino]-2-oxoethyl]benzoate
SMILESCOC(=O)c1ccccc1CC(=O)NCc1ccccc1N1CCOCC1
InChIInChI=1S/C21H24N2O4/c1-26-21(25)18-8-4-2-6-16(18)14-20(24)22-15-17-7-3-5-9-19(17)23-10-12-27-13-11-23/h2-9H,10-15H2,1H3,(H,22,24)
InChIKeyPDBPOTYRSQAFIK-UHFFFAOYSA-N
MW368.43 g/mol
LogP2.17
Rot. Bonds6

About methyl 2-[2-[(2-morpholin-4-ylphenyl)methylamino]-2-oxoethyl]benzoate

methyl 2-[2-[(2-morpholin-4-ylphenyl)methylamino]-2-oxoethyl]benzoate (PubChem CID 75440397) has the molecular formula C21H24N2O4 and a molecular weight of 368.43 g/mol. Its IUPAC name is methyl 2-[2-[(2-morpholin-4-ylphenyl)methylamino]-2-oxoethyl]benzoate.

Molecular Properties

Compound Namemethyl 2-[2-[(2-morpholin-4-ylphenyl)methylamino]-2-oxoethyl]benzoate
PubChem CID75440397
Molecular FormulaC21H24N2O4
Molecular Weight368.43 g/mol
Exact Mass368.17
IUPAC Namemethyl 2-[2-[(2-morpholin-4-ylphenyl)methylamino]-2-oxoethyl]benzoate
SMILESCOC(=O)c1ccccc1CC(=O)NCc1ccccc1N1CCOCC1
InChIInChI=1S/C21H24N2O4/c1-26-21(25)18-8-4-2-6-16(18)14-20(24)22-15-17-7-3-5-9-19(17)23-10-12-27-13-11-23/h2-9H,10-15H2,1H3,(H,22,24)
InChIKeyPDBPOTYRSQAFIK-UHFFFAOYSA-N
XLogP2.17
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.43
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 2-methoxy-3-morpholin-4-ylbenzoate
CID 162506076
2-methyl-N-[(2-morpholin-4-ylphenyl)methyl]propanamide
CID 47400471
2,2,2-trifluoro-N-[(2-morpholin-4-ylphenyl)methyl]acetamide
CID 110443194
4-(4-hydroxyphenyl)sulfanyl-N-[(2-morpholin-4-ylphenyl)methyl]pentanamide
CID 91466295
3-cyclopropyl-N-[(2-morpholin-4-ylphenyl)methyl]butanamide
CID 51096915
methyl 2-chloro-3-morpholin-4-ylbenzoate
CID 166766817
4-acetamido-N-[(2-morpholin-4-ylphenyl)methyl]benzamide
CID 47788856
N-[(2-morpholin-4-ylphenyl)methyl]-2-[4-(trifluoromethyl)phenoxy]acetamide
CID 86859322
4-methoxy-N-[(2-morpholin-4-ylphenyl)methyl]piperidine-4-carboxamide;dihydrochloride
CID 119853784
1-amino-N-[(2-morpholin-4-ylphenyl)methyl]cyclopentane-1-carboxamide
CID 119853759
1-[(2-methoxyphenyl)methyl]-2-methyl-3-[(2-morpholin-4-ylphenyl)methyl]guanidine
CID 111217759
N-[(2-morpholin-4-ylphenyl)methyl]-5-oxopyrrolidine-2-carboxamide
CID 110445215

Frequently Asked Questions

What is the IUPAC name of methyl 2-[2-[(2-morpholin-4-ylphenyl)methylamino]-2-oxoethyl]benzoate?
The IUPAC name of methyl 2-[2-[(2-morpholin-4-ylphenyl)methylamino]-2-oxoethyl]benzoate (CID 75440397) is methyl 2-[2-[(2-morpholin-4-ylphenyl)methylamino]-2-oxoethyl]benzoate.
What is the SMILES notation for methyl 2-[2-[(2-morpholin-4-ylphenyl)methylamino]-2-oxoethyl]benzoate?
The canonical SMILES for methyl 2-[2-[(2-morpholin-4-ylphenyl)methylamino]-2-oxoethyl]benzoate is COC(=O)c1ccccc1CC(=O)NCc1ccccc1N1CCOCC1.
What is the InChIKey of methyl 2-[2-[(2-morpholin-4-ylphenyl)methylamino]-2-oxoethyl]benzoate?
The InChIKey is PDBPOTYRSQAFIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N2O4/c1-26-21(25)18-8-4-2-6-16(18)14-20(24)22-15-17-7-3-5-9-19(17)23-10-12-27-13-11-23/h2-9H,10-15H2,1H3,(H,22,24).
What are the key properties of methyl 2-[2-[(2-morpholin-4-ylphenyl)methylamino]-2-oxoethyl]benzoate?
methyl 2-[2-[(2-morpholin-4-ylphenyl)methylamino]-2-oxoethyl]benzoate has a molecular weight of 368.43 g/mol, XLogP of 2.17, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[2-[(2-morpholin-4-ylphenyl)methylamino]-2-oxoethyl]benzoate is sourced from PubChem (CID 75440397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).