ethyl 4-morpholin-4-yl-3-[(3-propan-2-yloxybenzoyl)amino]benzoate

C23H28N2O5 — CID 16740402

IUPACethyl 4-morpholin-4-yl-3-[(3-propan-2-yloxybenzoyl)amino]benzoate
SMILESCCOC(=O)c1ccc(N2CCOCC2)c(NC(=O)c2cccc(OC(C)C)c2)c1
InChIInChI=1S/C23H28N2O5/c1-4-29-23(27)18-8-9-21(25-10-12-28-13-11-25)20(15-18)24-22(26)17-6-5-7-19(14-17)30-16(2)3/h5-9,14-16H,4,10-13H2,1-3H3,(H,24,26)
InChIKeyKKNGATGXOUGXEL-UHFFFAOYSA-N
MW412.49 g/mol
LogP3.74
Rot. Bonds7

About ethyl 4-morpholin-4-yl-3-[(3-propan-2-yloxybenzoyl)amino]benzoate

ethyl 4-morpholin-4-yl-3-[(3-propan-2-yloxybenzoyl)amino]benzoate (PubChem CID 16740402) has the molecular formula C23H28N2O5 and a molecular weight of 412.49 g/mol. Its IUPAC name is ethyl 4-morpholin-4-yl-3-[(3-propan-2-yloxybenzoyl)amino]benzoate.

Molecular Properties

Compound Nameethyl 4-morpholin-4-yl-3-[(3-propan-2-yloxybenzoyl)amino]benzoate
PubChem CID16740402
Molecular FormulaC23H28N2O5
Molecular Weight412.49 g/mol
Exact Mass412.20
IUPAC Nameethyl 4-morpholin-4-yl-3-[(3-propan-2-yloxybenzoyl)amino]benzoate
SMILESCCOC(=O)c1ccc(N2CCOCC2)c(NC(=O)c2cccc(OC(C)C)c2)c1
InChIInChI=1S/C23H28N2O5/c1-4-29-23(27)18-8-9-21(25-10-12-28-13-11-25)20(15-18)24-22(26)17-6-5-7-19(14-17)30-16(2)3/h5-9,14-16H,4,10-13H2,1-3H3,(H,24,26)
InChIKeyKKNGATGXOUGXEL-UHFFFAOYSA-N
XLogP3.74
TPSA77.10 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.49
LogP ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze ethyl 4-morpholin-4-yl-3-[(3-propan-2-yloxybenzoyl)amino]benzoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

ethyl 3-[(3-butan-2-yloxybenzoyl)amino]-4-morpholin-4-ylbenzoate
CID 43913387
methyl 3-[[3-(2-methylpropoxy)benzoyl]amino]-4-morpholin-4-ylbenzoate
CID 16654377
ethyl 4-(4-ethylpiperazin-1-yl)-3-[(4-propan-2-yloxybenzoyl)amino]benzoate
CID 17358144
2-[(5-ethoxycarbonyl-2-morpholin-4-ylphenyl)carbamoyl]benzoic acid
CID 2811007
methyl 3-[(3-butan-2-yloxybenzoyl)carbamothioylamino]-4-morpholin-4-ylbenzoate
CID 17336542
N-[5-amino-2-(4-methylpiperazin-1-yl)phenyl]-3-propan-2-yloxybenzamide
CID 91675880
ethyl 3-chloro-4-morpholin-4-ylbenzoate
CID 154210360
3-propan-2-yloxy-N-(2-pyrrolidin-1-ylphenyl)benzamide
CID 960500
N-(5-fluoro-2-morpholin-4-ylphenyl)-3-methoxybenzamide
CID 113092691
N-(2,5-diethoxy-4-morpholin-4-ylphenyl)-3-(difluoromethoxy)benzamide
CID 22830164
methyl 5-[(3-ethoxybenzoyl)amino]-2-morpholin-4-ylbenzoate
CID 6463110
N-[2-(4-acetylpiperazin-1-yl)phenyl]-3-propan-2-yloxybenzamide
CID 3161440

Frequently Asked Questions

What is the IUPAC name of ethyl 4-morpholin-4-yl-3-[(3-propan-2-yloxybenzoyl)amino]benzoate?
The IUPAC name of ethyl 4-morpholin-4-yl-3-[(3-propan-2-yloxybenzoyl)amino]benzoate (CID 16740402) is ethyl 4-morpholin-4-yl-3-[(3-propan-2-yloxybenzoyl)amino]benzoate.
What is the SMILES notation for ethyl 4-morpholin-4-yl-3-[(3-propan-2-yloxybenzoyl)amino]benzoate?
The canonical SMILES for ethyl 4-morpholin-4-yl-3-[(3-propan-2-yloxybenzoyl)amino]benzoate is CCOC(=O)c1ccc(N2CCOCC2)c(NC(=O)c2cccc(OC(C)C)c2)c1.
What is the InChIKey of ethyl 4-morpholin-4-yl-3-[(3-propan-2-yloxybenzoyl)amino]benzoate?
The InChIKey is KKNGATGXOUGXEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N2O5/c1-4-29-23(27)18-8-9-21(25-10-12-28-13-11-25)20(15-18)24-22(26)17-6-5-7-19(14-17)30-16(2)3/h5-9,14-16H,4,10-13H2,1-3H3,(H,24,26).
What are the key properties of ethyl 4-morpholin-4-yl-3-[(3-propan-2-yloxybenzoyl)amino]benzoate?
ethyl 4-morpholin-4-yl-3-[(3-propan-2-yloxybenzoyl)amino]benzoate has a molecular weight of 412.49 g/mol, XLogP of 3.74, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-morpholin-4-yl-3-[(3-propan-2-yloxybenzoyl)amino]benzoate is sourced from PubChem (CID 16740402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).