methyl 3-[[3-(2-methylpropoxy)benzoyl]amino]-4-morpholin-4-ylbenzoate

C23H28N2O5 — CID 16654377

IUPACmethyl 3-[[3-(2-methylpropoxy)benzoyl]amino]-4-morpholin-4-ylbenzoate
SMILESCOC(=O)c1ccc(N2CCOCC2)c(NC(=O)c2cccc(OCC(C)C)c2)c1
InChIInChI=1S/C23H28N2O5/c1-16(2)15-30-19-6-4-5-17(13-19)22(26)24-20-14-18(23(27)28-3)7-8-21(20)25-9-11-29-12-10-25/h4-8,13-14,16H,9-12,15H2,1-3H3,(H,24,26)
InChIKeyPJTFPABRUXWJEY-UHFFFAOYSA-N
MW412.49 g/mol
LogP3.60
Rot. Bonds7

About methyl 3-[[3-(2-methylpropoxy)benzoyl]amino]-4-morpholin-4-ylbenzoate

methyl 3-[[3-(2-methylpropoxy)benzoyl]amino]-4-morpholin-4-ylbenzoate (PubChem CID 16654377) has the molecular formula C23H28N2O5 and a molecular weight of 412.49 g/mol. Its IUPAC name is methyl 3-[[3-(2-methylpropoxy)benzoyl]amino]-4-morpholin-4-ylbenzoate.

Molecular Properties

Compound Namemethyl 3-[[3-(2-methylpropoxy)benzoyl]amino]-4-morpholin-4-ylbenzoate
PubChem CID16654377
Molecular FormulaC23H28N2O5
Molecular Weight412.49 g/mol
Exact Mass412.20
IUPAC Namemethyl 3-[[3-(2-methylpropoxy)benzoyl]amino]-4-morpholin-4-ylbenzoate
SMILESCOC(=O)c1ccc(N2CCOCC2)c(NC(=O)c2cccc(OCC(C)C)c2)c1
InChIInChI=1S/C23H28N2O5/c1-16(2)15-30-19-6-4-5-17(13-19)22(26)24-20-14-18(23(27)28-3)7-8-21(20)25-9-11-29-12-10-25/h4-8,13-14,16H,9-12,15H2,1-3H3,(H,24,26)
InChIKeyPJTFPABRUXWJEY-UHFFFAOYSA-N
XLogP3.60
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 ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze methyl 3-[[3-(2-methylpropoxy)benzoyl]amino]-4-morpholin-4-ylbenzoate with MolForge

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Related Compounds

ethyl 4-morpholin-4-yl-3-[(3-propan-2-yloxybenzoyl)amino]benzoate
CID 16740402
ethyl 3-[(3-butan-2-yloxybenzoyl)amino]-4-morpholin-4-ylbenzoate
CID 43913387
methyl 3-[(3-butan-2-yloxybenzoyl)carbamothioylamino]-4-morpholin-4-ylbenzoate
CID 17336542
4-(2-methylpropoxy)-N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]benzamide
CID 3500229
N-(5-fluoro-2-morpholin-4-ylphenyl)-3-methoxybenzamide
CID 113092691
methyl 5-[(3-ethoxybenzoyl)amino]-2-morpholin-4-ylbenzoate
CID 6463110
methyl 3-[(3,5-dichloro-4-methoxybenzoyl)amino]-4-morpholin-4-ylbenzoate
CID 17336629
methyl 4-morpholin-4-yl-3-[(3-nitro-4-pyrrolidin-1-ylbenzoyl)amino]benzoate
CID 17336608
methyl 3-[(3-iodobenzoyl)amino]-4-(4-methylpiperazin-1-yl)benzoate
CID 6457104
3-(2-methylpropoxy)-N-(3-morpholin-4-ylsulfonylphenyl)benzamide
CID 7589569
N-[3-chloro-4-[4-(2,3,4,5,6-pentafluorophenyl)piperazin-1-yl]phenyl]-3-(2-methylpropoxy)benzamide
CID 3340593
methyl 4-(4-benzoylpiperazin-1-yl)-3-[(4-morpholin-4-yl-3-nitrobenzoyl)amino]benzoate
CID 17091853

Frequently Asked Questions

What is the IUPAC name of methyl 3-[[3-(2-methylpropoxy)benzoyl]amino]-4-morpholin-4-ylbenzoate?
The IUPAC name of methyl 3-[[3-(2-methylpropoxy)benzoyl]amino]-4-morpholin-4-ylbenzoate (CID 16654377) is methyl 3-[[3-(2-methylpropoxy)benzoyl]amino]-4-morpholin-4-ylbenzoate.
What is the SMILES notation for methyl 3-[[3-(2-methylpropoxy)benzoyl]amino]-4-morpholin-4-ylbenzoate?
The canonical SMILES for methyl 3-[[3-(2-methylpropoxy)benzoyl]amino]-4-morpholin-4-ylbenzoate is COC(=O)c1ccc(N2CCOCC2)c(NC(=O)c2cccc(OCC(C)C)c2)c1.
What is the InChIKey of methyl 3-[[3-(2-methylpropoxy)benzoyl]amino]-4-morpholin-4-ylbenzoate?
The InChIKey is PJTFPABRUXWJEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N2O5/c1-16(2)15-30-19-6-4-5-17(13-19)22(26)24-20-14-18(23(27)28-3)7-8-21(20)25-9-11-29-12-10-25/h4-8,13-14,16H,9-12,15H2,1-3H3,(H,24,26).
What are the key properties of methyl 3-[[3-(2-methylpropoxy)benzoyl]amino]-4-morpholin-4-ylbenzoate?
methyl 3-[[3-(2-methylpropoxy)benzoyl]amino]-4-morpholin-4-ylbenzoate has a molecular weight of 412.49 g/mol, XLogP of 3.60, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[[3-(2-methylpropoxy)benzoyl]amino]-4-morpholin-4-ylbenzoate is sourced from PubChem (CID 16654377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).