[2-[3-(diethylcarbamoyl)anilino]-2-oxoethyl] 3,4-dimethylbenzoate

C22H26N2O4 — CID 9290674

IUPAC[2-[3-(diethylcarbamoyl)anilino]-2-oxoethyl] 3,4-dimethylbenzoate
SMILESCCN(CC)C(=O)c1cccc(NC(=O)COC(=O)c2ccc(C)c(C)c2)c1
InChIInChI=1S/C22H26N2O4/c1-5-24(6-2)21(26)17-8-7-9-19(13-17)23-20(25)14-28-22(27)18-11-10-15(3)16(4)12-18/h7-13H,5-6,14H2,1-4H3,(H,23,25)
InChIKeyKUIBIDLAYJFARE-UHFFFAOYSA-N
MW382.46 g/mol
LogP3.58
Rot. Bonds7

About [2-[3-(diethylcarbamoyl)anilino]-2-oxoethyl] 3,4-dimethylbenzoate

[2-[3-(diethylcarbamoyl)anilino]-2-oxoethyl] 3,4-dimethylbenzoate (PubChem CID 9290674) has the molecular formula C22H26N2O4 and a molecular weight of 382.46 g/mol. Its IUPAC name is [2-[3-(diethylcarbamoyl)anilino]-2-oxoethyl] 3,4-dimethylbenzoate.

Molecular Properties

Compound Name[2-[3-(diethylcarbamoyl)anilino]-2-oxoethyl] 3,4-dimethylbenzoate
PubChem CID9290674
Molecular FormulaC22H26N2O4
Molecular Weight382.46 g/mol
Exact Mass382.19
IUPAC Name[2-[3-(diethylcarbamoyl)anilino]-2-oxoethyl] 3,4-dimethylbenzoate
SMILESCCN(CC)C(=O)c1cccc(NC(=O)COC(=O)c2ccc(C)c(C)c2)c1
InChIInChI=1S/C22H26N2O4/c1-5-24(6-2)21(26)17-8-7-9-19(13-17)23-20(25)14-28-22(27)18-11-10-15(3)16(4)12-18/h7-13H,5-6,14H2,1-4H3,(H,23,25)
InChIKeyKUIBIDLAYJFARE-UHFFFAOYSA-N
XLogP3.58
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.46
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[2-[3-(diethylcarbamoyl)anilino]-2-oxoethyl] 3-amino-4-methylbenzoate
CID 9289521
[2-(3,4-dimethylanilino)-2-oxoethyl] 3-acetamidobenzoate
CID 2582184
(2-anilino-2-oxoethyl) 3,4-dimethylbenzoate
CID 725026
[2-[3-(diethylcarbamoyl)anilino]-2-oxoethyl] 5-methylthiophene-2-carboxylate
CID 9009066
[2-[4-(diethylcarbamoyl)anilino]-2-oxoethyl] 3-[(2-methylpropan-2-yl)oxycarbonylamino]benzoate
CID 27804161
4-O-[2-[3-(diethylcarbamoyl)anilino]-2-oxoethyl] 1-O-ethyl (E)-but-2-enedioate
CID 9015295
[2-[3-(diethylcarbamoyl)anilino]-2-oxoethyl] 2-methoxyacetate
CID 9230199
[2-[3-(diethylcarbamoyl)anilino]-2-oxoethyl] 4-(4-chloro-3,5-dimethylpyrazol-1-yl)benzoate
CID 55398511
[2-[3-(diethylcarbamoyl)anilino]-2-oxoethyl] (2S)-2-hydroxy-2-phenylacetate
CID 9007671
3-O-[2-(3,4-dimethylanilino)-2-oxoethyl] 1-O-methyl benzene-1,3-dicarboxylate
CID 46860616
3-[[2-(2,3-dimethylphenoxy)acetyl]amino]-N,N-diethylbenzamide
CID 31288850
N-[3-(diethylcarbamoyl)phenyl]-2-(3,4-dimethylbenzoyl)benzamide
CID 36835148

Frequently Asked Questions

What is the IUPAC name of [2-[3-(diethylcarbamoyl)anilino]-2-oxoethyl] 3,4-dimethylbenzoate?
The IUPAC name of [2-[3-(diethylcarbamoyl)anilino]-2-oxoethyl] 3,4-dimethylbenzoate (CID 9290674) is [2-[3-(diethylcarbamoyl)anilino]-2-oxoethyl] 3,4-dimethylbenzoate.
What is the SMILES notation for [2-[3-(diethylcarbamoyl)anilino]-2-oxoethyl] 3,4-dimethylbenzoate?
The canonical SMILES for [2-[3-(diethylcarbamoyl)anilino]-2-oxoethyl] 3,4-dimethylbenzoate is CCN(CC)C(=O)c1cccc(NC(=O)COC(=O)c2ccc(C)c(C)c2)c1.
What is the InChIKey of [2-[3-(diethylcarbamoyl)anilino]-2-oxoethyl] 3,4-dimethylbenzoate?
The InChIKey is KUIBIDLAYJFARE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N2O4/c1-5-24(6-2)21(26)17-8-7-9-19(13-17)23-20(25)14-28-22(27)18-11-10-15(3)16(4)12-18/h7-13H,5-6,14H2,1-4H3,(H,23,25).
What are the key properties of [2-[3-(diethylcarbamoyl)anilino]-2-oxoethyl] 3,4-dimethylbenzoate?
[2-[3-(diethylcarbamoyl)anilino]-2-oxoethyl] 3,4-dimethylbenzoate has a molecular weight of 382.46 g/mol, XLogP of 3.58, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[3-(diethylcarbamoyl)anilino]-2-oxoethyl] 3,4-dimethylbenzoate is sourced from PubChem (CID 9290674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).