[2-[4-(diethylcarbamoyl)anilino]-2-oxoethyl] 4-propoxybenzoate

C23H28N2O5 — CID 7211957

IUPAC[2-[4-(diethylcarbamoyl)anilino]-2-oxoethyl] 4-propoxybenzoate
SMILESCCCOc1ccc(C(=O)OCC(=O)Nc2ccc(C(=O)N(CC)CC)cc2)cc1
InChIInChI=1S/C23H28N2O5/c1-4-15-29-20-13-9-18(10-14-20)23(28)30-16-21(26)24-19-11-7-17(8-12-19)22(27)25(5-2)6-3/h7-14H,4-6,15-16H2,1-3H3,(H,24,26)
InChIKeyAWOSNDUCMILBBL-UHFFFAOYSA-N
MW412.49 g/mol
LogP3.75
Rot. Bonds10

About [2-[4-(diethylcarbamoyl)anilino]-2-oxoethyl] 4-propoxybenzoate

[2-[4-(diethylcarbamoyl)anilino]-2-oxoethyl] 4-propoxybenzoate (PubChem CID 7211957) has the molecular formula C23H28N2O5 and a molecular weight of 412.49 g/mol. Its IUPAC name is [2-[4-(diethylcarbamoyl)anilino]-2-oxoethyl] 4-propoxybenzoate.

Molecular Properties

Compound Name[2-[4-(diethylcarbamoyl)anilino]-2-oxoethyl] 4-propoxybenzoate
PubChem CID7211957
Molecular FormulaC23H28N2O5
Molecular Weight412.49 g/mol
Exact Mass412.20
IUPAC Name[2-[4-(diethylcarbamoyl)anilino]-2-oxoethyl] 4-propoxybenzoate
SMILESCCCOc1ccc(C(=O)OCC(=O)Nc2ccc(C(=O)N(CC)CC)cc2)cc1
InChIInChI=1S/C23H28N2O5/c1-4-15-29-20-13-9-18(10-14-20)23(28)30-16-21(26)24-19-11-7-17(8-12-19)22(27)25(5-2)6-3/h7-14H,4-6,15-16H2,1-3H3,(H,24,26)
InChIKeyAWOSNDUCMILBBL-UHFFFAOYSA-N
XLogP3.75
TPSA84.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.49
LogP ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[2-(4-ethoxyanilino)-2-oxoethyl] 4-propoxybenzoate
CID 7211928
[2-[4-(diethylcarbamoyl)anilino]-2-oxoethyl] 4-acetamidobenzoate
CID 7957923
[2-[4-(diethylcarbamoyl)anilino]-2-oxoethyl] 4-hydroxybenzoate
CID 7777347
N,N-diethyl-4-[[2-oxo-2-(4-propoxyanilino)ethyl]amino]benzamide
CID 54834104
[2-[4-(diethylcarbamoyl)anilino]-2-oxoethyl] 4-chlorobenzoate
CID 7797485
N,N-diethyl-4-[[2-(4-ethylphenoxy)acetyl]amino]benzamide
CID 8503993
N,N-diethyl-4-[[2-(4-methylphenoxy)acetyl]amino]benzamide
CID 7817272
propyl 4-[[2-(4-ethylphenoxy)acetyl]amino]benzoate
CID 2274683
butyl 4-[2-[4-(dimethylcarbamoyl)anilino]-2-oxoethoxy]benzoate
CID 7984519
[2-[4-(diethylcarbamoyl)anilino]-2-oxoethyl] 2-(4-chlorophenoxy)acetate
CID 8579572
N,N-diethyl-3-[[2-(4-propoxyphenoxy)acetyl]amino]benzamide
CID 78775457
[2-[4-(diethylcarbamoyl)anilino]-2-oxoethyl] 4-(ethylsulfamoyl)benzoate
CID 29459101

Frequently Asked Questions

What is the IUPAC name of [2-[4-(diethylcarbamoyl)anilino]-2-oxoethyl] 4-propoxybenzoate?
The IUPAC name of [2-[4-(diethylcarbamoyl)anilino]-2-oxoethyl] 4-propoxybenzoate (CID 7211957) is [2-[4-(diethylcarbamoyl)anilino]-2-oxoethyl] 4-propoxybenzoate.
What is the SMILES notation for [2-[4-(diethylcarbamoyl)anilino]-2-oxoethyl] 4-propoxybenzoate?
The canonical SMILES for [2-[4-(diethylcarbamoyl)anilino]-2-oxoethyl] 4-propoxybenzoate is CCCOc1ccc(C(=O)OCC(=O)Nc2ccc(C(=O)N(CC)CC)cc2)cc1.
What is the InChIKey of [2-[4-(diethylcarbamoyl)anilino]-2-oxoethyl] 4-propoxybenzoate?
The InChIKey is AWOSNDUCMILBBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N2O5/c1-4-15-29-20-13-9-18(10-14-20)23(28)30-16-21(26)24-19-11-7-17(8-12-19)22(27)25(5-2)6-3/h7-14H,4-6,15-16H2,1-3H3,(H,24,26).
What are the key properties of [2-[4-(diethylcarbamoyl)anilino]-2-oxoethyl] 4-propoxybenzoate?
[2-[4-(diethylcarbamoyl)anilino]-2-oxoethyl] 4-propoxybenzoate has a molecular weight of 412.49 g/mol, XLogP of 3.75, 10 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[4-(diethylcarbamoyl)anilino]-2-oxoethyl] 4-propoxybenzoate is sourced from PubChem (CID 7211957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).