ethyl 4-[[4-(morpholin-4-ylmethyl)benzoyl]amino]benzoate

C21H24N2O4 — CID 1257531

IUPACethyl 4-[[4-(morpholin-4-ylmethyl)benzoyl]amino]benzoate
SMILESCCOC(=O)c1ccc(NC(=O)c2ccc(CN3CCOCC3)cc2)cc1
InChIInChI=1S/C21H24N2O4/c1-2-27-21(25)18-7-9-19(10-8-18)22-20(24)17-5-3-16(4-6-17)15-23-11-13-26-14-12-23/h3-10H,2,11-15H2,1H3,(H,22,24)
InChIKeyHVXPCGOHBRRLOW-UHFFFAOYSA-N
MW368.43 g/mol
LogP2.95
Rot. Bonds6

About ethyl 4-[[4-(morpholin-4-ylmethyl)benzoyl]amino]benzoate

ethyl 4-[[4-(morpholin-4-ylmethyl)benzoyl]amino]benzoate (PubChem CID 1257531) has the molecular formula C21H24N2O4 and a molecular weight of 368.43 g/mol. Its IUPAC name is ethyl 4-[[4-(morpholin-4-ylmethyl)benzoyl]amino]benzoate.

Molecular Properties

Compound Nameethyl 4-[[4-(morpholin-4-ylmethyl)benzoyl]amino]benzoate
PubChem CID1257531
Molecular FormulaC21H24N2O4
Molecular Weight368.43 g/mol
Exact Mass368.17
IUPAC Nameethyl 4-[[4-(morpholin-4-ylmethyl)benzoyl]amino]benzoate
SMILESCCOC(=O)c1ccc(NC(=O)c2ccc(CN3CCOCC3)cc2)cc1
InChIInChI=1S/C21H24N2O4/c1-2-27-21(25)18-7-9-19(10-8-18)22-20(24)17-5-3-16(4-6-17)15-23-11-13-26-14-12-23/h3-10H,2,11-15H2,1H3,(H,22,24)
InChIKeyHVXPCGOHBRRLOW-UHFFFAOYSA-N
XLogP2.95
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 ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of ethyl 4-[[4-(morpholin-4-ylmethyl)benzoyl]amino]benzoate?
The IUPAC name of ethyl 4-[[4-(morpholin-4-ylmethyl)benzoyl]amino]benzoate (CID 1257531) is ethyl 4-[[4-(morpholin-4-ylmethyl)benzoyl]amino]benzoate.
What is the SMILES notation for ethyl 4-[[4-(morpholin-4-ylmethyl)benzoyl]amino]benzoate?
The canonical SMILES for ethyl 4-[[4-(morpholin-4-ylmethyl)benzoyl]amino]benzoate is CCOC(=O)c1ccc(NC(=O)c2ccc(CN3CCOCC3)cc2)cc1.
What is the InChIKey of ethyl 4-[[4-(morpholin-4-ylmethyl)benzoyl]amino]benzoate?
The InChIKey is HVXPCGOHBRRLOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N2O4/c1-2-27-21(25)18-7-9-19(10-8-18)22-20(24)17-5-3-16(4-6-17)15-23-11-13-26-14-12-23/h3-10H,2,11-15H2,1H3,(H,22,24).
What are the key properties of ethyl 4-[[4-(morpholin-4-ylmethyl)benzoyl]amino]benzoate?
ethyl 4-[[4-(morpholin-4-ylmethyl)benzoyl]amino]benzoate has a molecular weight of 368.43 g/mol, XLogP of 2.95, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[[4-(morpholin-4-ylmethyl)benzoyl]amino]benzoate is sourced from PubChem (CID 1257531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).