[2-oxo-2-(N-propan-2-ylanilino)ethyl] 3-(dimethylamino)benzoate

C20H24N2O3 — CID 2370487

IUPAC[2-oxo-2-(N-propan-2-ylanilino)ethyl] 3-(dimethylamino)benzoate
SMILESCC(C)N(C(=O)COC(=O)c1cccc(N(C)C)c1)c1ccccc1
InChIInChI=1S/C20H24N2O3/c1-15(2)22(17-10-6-5-7-11-17)19(23)14-25-20(24)16-9-8-12-18(13-16)21(3)4/h5-13,15H,14H2,1-4H3
InChIKeyRRXNVPJEQNUVJP-UHFFFAOYSA-N
MW340.42 g/mol
LogP3.35
Rot. Bonds6

About [2-oxo-2-(N-propan-2-ylanilino)ethyl] 3-(dimethylamino)benzoate

[2-oxo-2-(N-propan-2-ylanilino)ethyl] 3-(dimethylamino)benzoate (PubChem CID 2370487) has the molecular formula C20H24N2O3 and a molecular weight of 340.42 g/mol. Its IUPAC name is [2-oxo-2-(N-propan-2-ylanilino)ethyl] 3-(dimethylamino)benzoate.

Molecular Properties

Compound Name[2-oxo-2-(N-propan-2-ylanilino)ethyl] 3-(dimethylamino)benzoate
PubChem CID2370487
Molecular FormulaC20H24N2O3
Molecular Weight340.42 g/mol
Exact Mass340.18
IUPAC Name[2-oxo-2-(N-propan-2-ylanilino)ethyl] 3-(dimethylamino)benzoate
SMILESCC(C)N(C(=O)COC(=O)c1cccc(N(C)C)c1)c1ccccc1
InChIInChI=1S/C20H24N2O3/c1-15(2)22(17-10-6-5-7-11-17)19(23)14-25-20(24)16-9-8-12-18(13-16)21(3)4/h5-13,15H,14H2,1-4H3
InChIKeyRRXNVPJEQNUVJP-UHFFFAOYSA-N
XLogP3.35
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.42
LogP ≤ 53.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

Methyl 3-(2-oxopyrrolidin-1-yl)benzoate
CID 667806
Methyl 3-benzamidobenzoate
CID 730618
Benzoic acid, 4-(dimethylamino)-, 1,1'-((methylimino)di-2,1-ethanediyl) ester
CID 59593952
Ethyl 3-(3-phenylpropanoylamino)benzoate
CID 670777
2-Fluoro-benzoic acid 2-(2,3-dihydro-indol-1-yl)-2-oxo-ethyl ester
CID 1089228
[2-(N-methylanilino)-2-oxoethyl] 3,4-dimethylbenzoate
CID 2335983
[2-(N-methylanilino)-2-oxoethyl] 4-cyanobenzoate
CID 2336020
2-[Methyl(phenyl)amino]-2-oxoethyl 2-methylbenzoate
CID 2336314
[2-(N-methylanilino)-2-oxoethyl] 2,4-dimethylbenzoate
CID 2336315
[2-oxo-2-(2-phenylethylamino)ethyl] 2-oxo-1H-quinoline-4-carboxylate
CID 2358098
(2-Oxo-2-pyrrolidin-1-ylethyl) 4-(dimethylamino)benzoate
CID 2370481
[2-(Cycloheptylamino)-2-oxoethyl] 4-(dimethylamino)benzoate
CID 2370496

Frequently Asked Questions

What is the IUPAC name of [2-oxo-2-(N-propan-2-ylanilino)ethyl] 3-(dimethylamino)benzoate?
The IUPAC name of [2-oxo-2-(N-propan-2-ylanilino)ethyl] 3-(dimethylamino)benzoate (CID 2370487) is [2-oxo-2-(N-propan-2-ylanilino)ethyl] 3-(dimethylamino)benzoate.
What is the SMILES notation for [2-oxo-2-(N-propan-2-ylanilino)ethyl] 3-(dimethylamino)benzoate?
The canonical SMILES for [2-oxo-2-(N-propan-2-ylanilino)ethyl] 3-(dimethylamino)benzoate is CC(C)N(C(=O)COC(=O)c1cccc(N(C)C)c1)c1ccccc1.
What is the InChIKey of [2-oxo-2-(N-propan-2-ylanilino)ethyl] 3-(dimethylamino)benzoate?
The InChIKey is RRXNVPJEQNUVJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O3/c1-15(2)22(17-10-6-5-7-11-17)19(23)14-25-20(24)16-9-8-12-18(13-16)21(3)4/h5-13,15H,14H2,1-4H3.
What are the key properties of [2-oxo-2-(N-propan-2-ylanilino)ethyl] 3-(dimethylamino)benzoate?
[2-oxo-2-(N-propan-2-ylanilino)ethyl] 3-(dimethylamino)benzoate has a molecular weight of 340.42 g/mol, XLogP of 3.35, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-oxo-2-(N-propan-2-ylanilino)ethyl] 3-(dimethylamino)benzoate is sourced from PubChem (CID 2370487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).