[2-oxo-2-[(2-oxoazepan-3-yl)amino]ethyl] 2-morpholin-4-ylbenzoate

C19H25N3O5 — CID 49107650

IUPAC[2-oxo-2-[(2-oxoazepan-3-yl)amino]ethyl] 2-morpholin-4-ylbenzoate
SMILESO=C(COC(=O)c1ccccc1N1CCOCC1)NC1CCCCNC1=O
InChIInChI=1S/C19H25N3O5/c23-17(21-15-6-3-4-8-20-18(15)24)13-27-19(25)14-5-1-2-7-16(14)22-9-11-26-12-10-22/h1-2,5,7,15H,3-4,6,8-13H2,(H,20,24)(H,21,23)
InChIKeyQAAMSMDWQMEQME-UHFFFAOYSA-N
MW375.43 g/mol
LogP0.46
Rot. Bonds5

About [2-oxo-2-[(2-oxoazepan-3-yl)amino]ethyl] 2-morpholin-4-ylbenzoate

[2-oxo-2-[(2-oxoazepan-3-yl)amino]ethyl] 2-morpholin-4-ylbenzoate (PubChem CID 49107650) has the molecular formula C19H25N3O5 and a molecular weight of 375.43 g/mol. Its IUPAC name is [2-oxo-2-[(2-oxoazepan-3-yl)amino]ethyl] 2-morpholin-4-ylbenzoate.

Molecular Properties

Compound Name[2-oxo-2-[(2-oxoazepan-3-yl)amino]ethyl] 2-morpholin-4-ylbenzoate
PubChem CID49107650
Molecular FormulaC19H25N3O5
Molecular Weight375.43 g/mol
Exact Mass375.18
IUPAC Name[2-oxo-2-[(2-oxoazepan-3-yl)amino]ethyl] 2-morpholin-4-ylbenzoate
SMILESO=C(COC(=O)c1ccccc1N1CCOCC1)NC1CCCCNC1=O
InChIInChI=1S/C19H25N3O5/c23-17(21-15-6-3-4-8-20-18(15)24)13-27-19(25)14-5-1-2-7-16(14)22-9-11-26-12-10-22/h1-2,5,7,15H,3-4,6,8-13H2,(H,20,24)(H,21,23)
InChIKeyQAAMSMDWQMEQME-UHFFFAOYSA-N
XLogP0.46
TPSA96.97 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.43
LogP ≤ 50.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze [2-oxo-2-[(2-oxoazepan-3-yl)amino]ethyl] 2-morpholin-4-ylbenzoate with MolForge

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Related Compounds

4-(2,3-dihydro-1,4-benzoxazin-4-yl)-4-oxo-N-[(3S)-2-oxoazepan-3-yl]butanamide
CID 95311839
2-[[(3S)-2-oxoazepan-3-yl]carbamoyl]benzoic acid
CID 6930768
[2-(3,4-dihydro-2H-chromen-4-ylamino)-2-oxoethyl] 2-morpholin-4-yl-5-nitrobenzoate
CID 46607103
2-(2-carbamothioylphenoxy)-N-(2-oxopiperidin-3-yl)acetamide
CID 62094351
1-[(6-morpholin-4-yl-3-pyridinyl)methyl]-3-(2-oxoazepan-3-yl)urea
CID 51084089
methylsulfanylmethyl 2-morpholin-4-ylbenzoate
CID 174939418
[2-(2-morpholin-4-ylanilino)-2-oxoethyl] 2-fluorobenzoate
CID 4626672
2-[(2S)-2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)pyrrolidin-1-yl]-N-[(3S)-2-oxoazepan-3-yl]acetamide
CID 124788254
2-morpholin-4-ylbenzohydrazide
CID 7148386
1-N-[(3S)-2-oxopiperidin-3-yl]-2-N-[(3R)-2-oxopiperidin-3-yl]benzene-1,2-dicarboxamide
CID 26791100
1-[(5-fluoro-2-morpholin-4-ylphenyl)methyl]-3-[(3S)-2-oxopyrrolidin-3-yl]urea
CID 167968899
2-(2-methoxyethoxy)-N-(2-oxoazepan-3-yl)acetamide
CID 103614914

Frequently Asked Questions

What is the IUPAC name of [2-oxo-2-[(2-oxoazepan-3-yl)amino]ethyl] 2-morpholin-4-ylbenzoate?
The IUPAC name of [2-oxo-2-[(2-oxoazepan-3-yl)amino]ethyl] 2-morpholin-4-ylbenzoate (CID 49107650) is [2-oxo-2-[(2-oxoazepan-3-yl)amino]ethyl] 2-morpholin-4-ylbenzoate.
What is the SMILES notation for [2-oxo-2-[(2-oxoazepan-3-yl)amino]ethyl] 2-morpholin-4-ylbenzoate?
The canonical SMILES for [2-oxo-2-[(2-oxoazepan-3-yl)amino]ethyl] 2-morpholin-4-ylbenzoate is O=C(COC(=O)c1ccccc1N1CCOCC1)NC1CCCCNC1=O.
What is the InChIKey of [2-oxo-2-[(2-oxoazepan-3-yl)amino]ethyl] 2-morpholin-4-ylbenzoate?
The InChIKey is QAAMSMDWQMEQME-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N3O5/c23-17(21-15-6-3-4-8-20-18(15)24)13-27-19(25)14-5-1-2-7-16(14)22-9-11-26-12-10-22/h1-2,5,7,15H,3-4,6,8-13H2,(H,20,24)(H,21,23).
What are the key properties of [2-oxo-2-[(2-oxoazepan-3-yl)amino]ethyl] 2-morpholin-4-ylbenzoate?
[2-oxo-2-[(2-oxoazepan-3-yl)amino]ethyl] 2-morpholin-4-ylbenzoate has a molecular weight of 375.43 g/mol, XLogP of 0.46, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-oxo-2-[(2-oxoazepan-3-yl)amino]ethyl] 2-morpholin-4-ylbenzoate is sourced from PubChem (CID 49107650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).