ethyl 3-[(3-butan-2-yloxybenzoyl)amino]-4-morpholin-4-ylbenzoate

C24H30N2O5 — CID 43913387

IUPACethyl 3-[(3-butan-2-yloxybenzoyl)amino]-4-morpholin-4-ylbenzoate
SMILESCCOC(=O)c1ccc(N2CCOCC2)c(NC(=O)c2cccc(OC(C)CC)c2)c1
InChIInChI=1S/C24H30N2O5/c1-4-17(3)31-20-8-6-7-18(15-20)23(27)25-21-16-19(24(28)30-5-2)9-10-22(21)26-11-13-29-14-12-26/h6-10,15-17H,4-5,11-14H2,1-3H3,(H,25,27)
InChIKeyAIQSEKLLPUSMLN-UHFFFAOYSA-N
MW426.51 g/mol
LogP4.13
Rot. Bonds8

About ethyl 3-[(3-butan-2-yloxybenzoyl)amino]-4-morpholin-4-ylbenzoate

ethyl 3-[(3-butan-2-yloxybenzoyl)amino]-4-morpholin-4-ylbenzoate (PubChem CID 43913387) has the molecular formula C24H30N2O5 and a molecular weight of 426.51 g/mol. Its IUPAC name is ethyl 3-[(3-butan-2-yloxybenzoyl)amino]-4-morpholin-4-ylbenzoate.

Molecular Properties

Compound Nameethyl 3-[(3-butan-2-yloxybenzoyl)amino]-4-morpholin-4-ylbenzoate
PubChem CID43913387
Molecular FormulaC24H30N2O5
Molecular Weight426.51 g/mol
Exact Mass426.22
IUPAC Nameethyl 3-[(3-butan-2-yloxybenzoyl)amino]-4-morpholin-4-ylbenzoate
SMILESCCOC(=O)c1ccc(N2CCOCC2)c(NC(=O)c2cccc(OC(C)CC)c2)c1
InChIInChI=1S/C24H30N2O5/c1-4-17(3)31-20-8-6-7-18(15-20)23(27)25-21-16-19(24(28)30-5-2)9-10-22(21)26-11-13-29-14-12-26/h6-10,15-17H,4-5,11-14H2,1-3H3,(H,25,27)
InChIKeyAIQSEKLLPUSMLN-UHFFFAOYSA-N
XLogP4.13
TPSA77.10 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.51
LogP ≤ 54.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze ethyl 3-[(3-butan-2-yloxybenzoyl)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
methyl 3-[(3-butan-2-yloxybenzoyl)carbamothioylamino]-4-morpholin-4-ylbenzoate
CID 17336542
methyl 3-[[3-(2-methylpropoxy)benzoyl]amino]-4-morpholin-4-ylbenzoate
CID 16654377
4-[(2S)-butan-2-yl]oxy-N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]benzamide
CID 40598598
2-[(5-ethoxycarbonyl-2-morpholin-4-ylphenyl)carbamoyl]benzoic acid
CID 2811007
ethyl 4-(4-benzylpiperazin-1-yl)-3-[(4-butan-2-yloxybenzoyl)amino]benzoate
CID 43913840
ethyl 3-[(2R)-butan-2-yl]oxybenzoate
CID 139830028
3-butan-2-yloxy-N-[2-(morpholine-4-carbonyl)phenyl]benzamide
CID 17149777
3-[[3-[(2R)-butan-2-yl]oxybenzoyl]amino]-4-methylbenzoic acid
CID 28673203
ethyl 4-(4-ethylpiperazin-1-yl)-3-[(4-propan-2-yloxybenzoyl)amino]benzoate
CID 17358144
ethyl 3-chloro-4-morpholin-4-ylbenzoate
CID 154210360
N-(5-fluoro-2-morpholin-4-ylphenyl)-3-methoxybenzamide
CID 113092691

Frequently Asked Questions

What is the IUPAC name of ethyl 3-[(3-butan-2-yloxybenzoyl)amino]-4-morpholin-4-ylbenzoate?
The IUPAC name of ethyl 3-[(3-butan-2-yloxybenzoyl)amino]-4-morpholin-4-ylbenzoate (CID 43913387) is ethyl 3-[(3-butan-2-yloxybenzoyl)amino]-4-morpholin-4-ylbenzoate.
What is the SMILES notation for ethyl 3-[(3-butan-2-yloxybenzoyl)amino]-4-morpholin-4-ylbenzoate?
The canonical SMILES for ethyl 3-[(3-butan-2-yloxybenzoyl)amino]-4-morpholin-4-ylbenzoate is CCOC(=O)c1ccc(N2CCOCC2)c(NC(=O)c2cccc(OC(C)CC)c2)c1.
What is the InChIKey of ethyl 3-[(3-butan-2-yloxybenzoyl)amino]-4-morpholin-4-ylbenzoate?
The InChIKey is AIQSEKLLPUSMLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30N2O5/c1-4-17(3)31-20-8-6-7-18(15-20)23(27)25-21-16-19(24(28)30-5-2)9-10-22(21)26-11-13-29-14-12-26/h6-10,15-17H,4-5,11-14H2,1-3H3,(H,25,27).
What are the key properties of ethyl 3-[(3-butan-2-yloxybenzoyl)amino]-4-morpholin-4-ylbenzoate?
ethyl 3-[(3-butan-2-yloxybenzoyl)amino]-4-morpholin-4-ylbenzoate has a molecular weight of 426.51 g/mol, XLogP of 4.13, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-[(3-butan-2-yloxybenzoyl)amino]-4-morpholin-4-ylbenzoate is sourced from PubChem (CID 43913387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).