[2-[3-(diethylcarbamoyl)anilino]-2-oxoethyl] 2-(2-oxopyrrolidin-1-yl)acetate

C19H25N3O5 — CID 8560767

IUPAC[2-[3-(diethylcarbamoyl)anilino]-2-oxoethyl] 2-(2-oxopyrrolidin-1-yl)acetate
SMILESCCN(CC)C(=O)c1cccc(NC(=O)COC(=O)CN2CCCC2=O)c1
InChIInChI=1S/C19H25N3O5/c1-3-21(4-2)19(26)14-7-5-8-15(11-14)20-16(23)13-27-18(25)12-22-10-6-9-17(22)24/h5,7-8,11H,3-4,6,9-10,12-13H2,1-2H3,(H,20,23)
InChIKeyNHXFIJKKUFARJS-UHFFFAOYSA-N
MW375.43 g/mol
LogP1.27
Rot. Bonds8

About [2-[3-(diethylcarbamoyl)anilino]-2-oxoethyl] 2-(2-oxopyrrolidin-1-yl)acetate

[2-[3-(diethylcarbamoyl)anilino]-2-oxoethyl] 2-(2-oxopyrrolidin-1-yl)acetate (PubChem CID 8560767) has the molecular formula C19H25N3O5 and a molecular weight of 375.43 g/mol. Its IUPAC name is [2-[3-(diethylcarbamoyl)anilino]-2-oxoethyl] 2-(2-oxopyrrolidin-1-yl)acetate.

Molecular Properties

Compound Name[2-[3-(diethylcarbamoyl)anilino]-2-oxoethyl] 2-(2-oxopyrrolidin-1-yl)acetate
PubChem CID8560767
Molecular FormulaC19H25N3O5
Molecular Weight375.43 g/mol
Exact Mass375.18
IUPAC Name[2-[3-(diethylcarbamoyl)anilino]-2-oxoethyl] 2-(2-oxopyrrolidin-1-yl)acetate
SMILESCCN(CC)C(=O)c1cccc(NC(=O)COC(=O)CN2CCCC2=O)c1
InChIInChI=1S/C19H25N3O5/c1-3-21(4-2)19(26)14-7-5-8-15(11-14)20-16(23)13-27-18(25)12-22-10-6-9-17(22)24/h5,7-8,11H,3-4,6,9-10,12-13H2,1-2H3,(H,20,23)
InChIKeyNHXFIJKKUFARJS-UHFFFAOYSA-N
XLogP1.27
TPSA96.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.43
LogP ≤ 51.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[2-[3-(diethylcarbamoyl)anilino]-2-oxoethyl] 2-methoxyacetate
CID 9230199
[2-[3-(diethylcarbamoyl)anilino]-2-oxoethyl] 3-cyclopentylpropanoate
CID 9197048
[2-(3-chloroanilino)-2-oxoethyl] 2-(2-oxoazepan-1-yl)acetate
CID 7727947
N-(3-acetylphenyl)-2-(2-oxopyrrolidin-1-yl)acetamide
CID 9209614
[2-(2,6-diethylanilino)-2-oxoethyl] 2-(2-oxoazepan-1-yl)acetate
CID 7727908
N,N-diethyl-3-[[2-[[4-(2-oxopyrrolidin-1-yl)benzoyl]amino]acetyl]amino]benzamide
CID 26313419
[2-[3-(diethylcarbamoyl)anilino]-2-oxoethyl] 3-phenoxypropanoate
CID 8579079
[2-(4-ethylanilino)-2-oxoethyl] 2-(2-oxoazepan-1-yl)acetate
CID 7727959
4-O-[2-[3-(diethylcarbamoyl)anilino]-2-oxoethyl] 1-O-ethyl (E)-but-2-enedioate
CID 9015295
3-[[2-(6,8-difluoro-3,4-dihydro-2H-quinolin-1-yl)acetyl]amino]-N,N-diethylbenzamide
CID 34009774
[2-[3-(diethylcarbamoyl)anilino]-2-oxoethyl] 2-methyl-2-phenylpropanoate
CID 8568240
N,N-diethyl-3-[[2-(4-ethylpiperazin-1-yl)acetyl]amino]benzamide
CID 32610918

Frequently Asked Questions

What is the IUPAC name of [2-[3-(diethylcarbamoyl)anilino]-2-oxoethyl] 2-(2-oxopyrrolidin-1-yl)acetate?
The IUPAC name of [2-[3-(diethylcarbamoyl)anilino]-2-oxoethyl] 2-(2-oxopyrrolidin-1-yl)acetate (CID 8560767) is [2-[3-(diethylcarbamoyl)anilino]-2-oxoethyl] 2-(2-oxopyrrolidin-1-yl)acetate.
What is the SMILES notation for [2-[3-(diethylcarbamoyl)anilino]-2-oxoethyl] 2-(2-oxopyrrolidin-1-yl)acetate?
The canonical SMILES for [2-[3-(diethylcarbamoyl)anilino]-2-oxoethyl] 2-(2-oxopyrrolidin-1-yl)acetate is CCN(CC)C(=O)c1cccc(NC(=O)COC(=O)CN2CCCC2=O)c1.
What is the InChIKey of [2-[3-(diethylcarbamoyl)anilino]-2-oxoethyl] 2-(2-oxopyrrolidin-1-yl)acetate?
The InChIKey is NHXFIJKKUFARJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N3O5/c1-3-21(4-2)19(26)14-7-5-8-15(11-14)20-16(23)13-27-18(25)12-22-10-6-9-17(22)24/h5,7-8,11H,3-4,6,9-10,12-13H2,1-2H3,(H,20,23).
What are the key properties of [2-[3-(diethylcarbamoyl)anilino]-2-oxoethyl] 2-(2-oxopyrrolidin-1-yl)acetate?
[2-[3-(diethylcarbamoyl)anilino]-2-oxoethyl] 2-(2-oxopyrrolidin-1-yl)acetate has a molecular weight of 375.43 g/mol, XLogP of 1.27, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[3-(diethylcarbamoyl)anilino]-2-oxoethyl] 2-(2-oxopyrrolidin-1-yl)acetate is sourced from PubChem (CID 8560767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).