propyl 5-[(2-methylbenzoyl)amino]-2-morpholin-4-ylbenzoate

C22H26N2O4 — CID 7328823

IUPACpropyl 5-[(2-methylbenzoyl)amino]-2-morpholin-4-ylbenzoate
SMILESCCCOC(=O)c1cc(NC(=O)c2ccccc2C)ccc1N1CCOCC1
InChIInChI=1S/C22H26N2O4/c1-3-12-28-22(26)19-15-17(8-9-20(19)24-10-13-27-14-11-24)23-21(25)18-7-5-4-6-16(18)2/h4-9,15H,3,10-14H2,1-2H3,(H,23,25)
InChIKeyNHEMYYNXRHBQBT-UHFFFAOYSA-N
MW382.46 g/mol
LogP3.65
Rot. Bonds6

About propyl 5-[(2-methylbenzoyl)amino]-2-morpholin-4-ylbenzoate

propyl 5-[(2-methylbenzoyl)amino]-2-morpholin-4-ylbenzoate (PubChem CID 7328823) has the molecular formula C22H26N2O4 and a molecular weight of 382.46 g/mol. Its IUPAC name is propyl 5-[(2-methylbenzoyl)amino]-2-morpholin-4-ylbenzoate.

Molecular Properties

Compound Namepropyl 5-[(2-methylbenzoyl)amino]-2-morpholin-4-ylbenzoate
PubChem CID7328823
Molecular FormulaC22H26N2O4
Molecular Weight382.46 g/mol
Exact Mass382.19
IUPAC Namepropyl 5-[(2-methylbenzoyl)amino]-2-morpholin-4-ylbenzoate
SMILESCCCOC(=O)c1cc(NC(=O)c2ccccc2C)ccc1N1CCOCC1
InChIInChI=1S/C22H26N2O4/c1-3-12-28-22(26)19-15-17(8-9-20(19)24-10-13-27-14-11-24)23-21(25)18-7-5-4-6-16(18)2/h4-9,15H,3,10-14H2,1-2H3,(H,23,25)
InChIKeyNHEMYYNXRHBQBT-UHFFFAOYSA-N
XLogP3.65
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.46
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

5-[(2-methylbenzoyl)amino]-2-morpholin-4-ylbenzoic acid
CID 50807484
ethyl 5-[(2-methoxybenzoyl)amino]-2-morpholin-4-ylbenzoate;hydrochloride
CID 163326534
propyl 2-morpholin-4-yl-5-(pentanoylamino)benzoate
CID 7328805
ethyl 5-[(3,4-dimethylbenzoyl)amino]-2-morpholin-4-ylbenzoate
CID 4903199
ethyl 5-[(4-methylbenzoyl)amino]-2-morpholin-4-ylbenzoate
CID 7328776
ethyl 5-[(5-bromo-2-chlorobenzoyl)amino]-2-morpholin-4-ylbenzoate
CID 4907817
methyl 2-morpholin-4-yl-5-[(4-propoxybenzoyl)amino]benzoate
CID 7328734
ethyl 5-[[2-(3,5-dimethylphenoxy)acetyl]amino]-2-morpholin-4-ylbenzoate
CID 7328773
ethyl 5-[(4-cyano-2-fluorobenzoyl)amino]-2-morpholin-4-ylbenzoate;hydrochloride
CID 163326553
propyl 5-(furan-2-yl)-2-morpholin-4-ylbenzoate
CID 168526053
propyl 5-[[1-(2-hydroxyethyl)-2,5-dioxopyrrol-3-yl]amino]-2-morpholin-4-ylbenzoate
CID 168559894
propyl 5-isocyanato-2-morpholin-4-ylbenzoate
CID 169353404

Frequently Asked Questions

What is the IUPAC name of propyl 5-[(2-methylbenzoyl)amino]-2-morpholin-4-ylbenzoate?
The IUPAC name of propyl 5-[(2-methylbenzoyl)amino]-2-morpholin-4-ylbenzoate (CID 7328823) is propyl 5-[(2-methylbenzoyl)amino]-2-morpholin-4-ylbenzoate.
What is the SMILES notation for propyl 5-[(2-methylbenzoyl)amino]-2-morpholin-4-ylbenzoate?
The canonical SMILES for propyl 5-[(2-methylbenzoyl)amino]-2-morpholin-4-ylbenzoate is CCCOC(=O)c1cc(NC(=O)c2ccccc2C)ccc1N1CCOCC1.
What is the InChIKey of propyl 5-[(2-methylbenzoyl)amino]-2-morpholin-4-ylbenzoate?
The InChIKey is NHEMYYNXRHBQBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N2O4/c1-3-12-28-22(26)19-15-17(8-9-20(19)24-10-13-27-14-11-24)23-21(25)18-7-5-4-6-16(18)2/h4-9,15H,3,10-14H2,1-2H3,(H,23,25).
What are the key properties of propyl 5-[(2-methylbenzoyl)amino]-2-morpholin-4-ylbenzoate?
propyl 5-[(2-methylbenzoyl)amino]-2-morpholin-4-ylbenzoate has a molecular weight of 382.46 g/mol, XLogP of 3.65, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for propyl 5-[(2-methylbenzoyl)amino]-2-morpholin-4-ylbenzoate is sourced from PubChem (CID 7328823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).