butyl 4-[[3-(morpholin-4-ylmethyl)benzoyl]amino]benzoate

C23H28N2O4 — CID 46764701

IUPACbutyl 4-[[3-(morpholin-4-ylmethyl)benzoyl]amino]benzoate
SMILESCCCCOC(=O)c1ccc(NC(=O)c2cccc(CN3CCOCC3)c2)cc1
InChIInChI=1S/C23H28N2O4/c1-2-3-13-29-23(27)19-7-9-21(10-8-19)24-22(26)20-6-4-5-18(16-20)17-25-11-14-28-15-12-25/h4-10,16H,2-3,11-15,17H2,1H3,(H,24,26)
InChIKeyXQFWLYYCXPXSQU-UHFFFAOYSA-N
MW396.49 g/mol
LogP3.73
Rot. Bonds8

About butyl 4-[[3-(morpholin-4-ylmethyl)benzoyl]amino]benzoate

butyl 4-[[3-(morpholin-4-ylmethyl)benzoyl]amino]benzoate (PubChem CID 46764701) has the molecular formula C23H28N2O4 and a molecular weight of 396.49 g/mol. Its IUPAC name is butyl 4-[[3-(morpholin-4-ylmethyl)benzoyl]amino]benzoate.

Molecular Properties

Compound Namebutyl 4-[[3-(morpholin-4-ylmethyl)benzoyl]amino]benzoate
PubChem CID46764701
Molecular FormulaC23H28N2O4
Molecular Weight396.49 g/mol
Exact Mass396.20
IUPAC Namebutyl 4-[[3-(morpholin-4-ylmethyl)benzoyl]amino]benzoate
SMILESCCCCOC(=O)c1ccc(NC(=O)c2cccc(CN3CCOCC3)c2)cc1
InChIInChI=1S/C23H28N2O4/c1-2-3-13-29-23(27)19-7-9-21(10-8-19)24-22(26)20-6-4-5-18(16-20)17-25-11-14-28-15-12-25/h4-10,16H,2-3,11-15,17H2,1H3,(H,24,26)
InChIKeyXQFWLYYCXPXSQU-UHFFFAOYSA-N
XLogP3.73
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.49
LogP ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[3-(morpholin-4-ylmethyl)phenyl]-4-pentoxybenzamide
CID 52751437
N-(3,4-dimethylphenyl)-3-(morpholin-4-ylmethyl)benzamide
CID 46769268
ethyl 2-chloro-4-[[3-(morpholin-4-ylmethyl)benzoyl]amino]benzoate
CID 28565288
3-(morpholin-4-ylmethyl)-N-pentylbenzamide
CID 92685635
propyl 4-[(3-morpholin-4-ylsulfonylbenzoyl)amino]benzoate
CID 18209204
butyl 4-[(4-morpholin-4-yl-3-nitrobenzoyl)amino]benzoate
CID 22778648
butyl 4-[[4-[(4-methylsulfonylpiperazin-1-yl)methyl]benzoyl]amino]benzoate
CID 38101943
ethyl 4-[[3-(morpholine-4-carbonyl)benzoyl]amino]benzoate
CID 109052957
methyl 4-methyl-3-[[3-(morpholin-4-ylmethyl)benzoyl]amino]benzoate
CID 30396966
butyl 4-[[4-[[4-(benzenesulfonyl)piperazin-1-yl]methyl]benzoyl]amino]benzoate
CID 43925792
ethyl 3-[3-(morpholin-4-ylmethyl)benzoyl]benzoate
CID 24724678
3-(morpholin-4-ylmethyl)-N-[4-(phenylsulfamoyl)phenyl]benzamide
CID 28631315

Frequently Asked Questions

What is the IUPAC name of butyl 4-[[3-(morpholin-4-ylmethyl)benzoyl]amino]benzoate?
The IUPAC name of butyl 4-[[3-(morpholin-4-ylmethyl)benzoyl]amino]benzoate (CID 46764701) is butyl 4-[[3-(morpholin-4-ylmethyl)benzoyl]amino]benzoate.
What is the SMILES notation for butyl 4-[[3-(morpholin-4-ylmethyl)benzoyl]amino]benzoate?
The canonical SMILES for butyl 4-[[3-(morpholin-4-ylmethyl)benzoyl]amino]benzoate is CCCCOC(=O)c1ccc(NC(=O)c2cccc(CN3CCOCC3)c2)cc1.
What is the InChIKey of butyl 4-[[3-(morpholin-4-ylmethyl)benzoyl]amino]benzoate?
The InChIKey is XQFWLYYCXPXSQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N2O4/c1-2-3-13-29-23(27)19-7-9-21(10-8-19)24-22(26)20-6-4-5-18(16-20)17-25-11-14-28-15-12-25/h4-10,16H,2-3,11-15,17H2,1H3,(H,24,26).
What are the key properties of butyl 4-[[3-(morpholin-4-ylmethyl)benzoyl]amino]benzoate?
butyl 4-[[3-(morpholin-4-ylmethyl)benzoyl]amino]benzoate has a molecular weight of 396.49 g/mol, XLogP of 3.73, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for butyl 4-[[3-(morpholin-4-ylmethyl)benzoyl]amino]benzoate is sourced from PubChem (CID 46764701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).