[2-[3-(ethylcarbamoyl)anilino]-2-oxoethyl] 2-methyl-2-phenylpropanoate

C21H24N2O4 — CID 8568243

IUPAC[2-[3-(ethylcarbamoyl)anilino]-2-oxoethyl] 2-methyl-2-phenylpropanoate
SMILESCCNC(=O)c1cccc(NC(=O)COC(=O)C(C)(C)c2ccccc2)c1
InChIInChI=1S/C21H24N2O4/c1-4-22-19(25)15-9-8-12-17(13-15)23-18(24)14-27-20(26)21(2,3)16-10-6-5-7-11-16/h5-13H,4,14H2,1-3H3,(H,22,25)(H,23,24)
InChIKeyOIKWERIFXVGAMW-UHFFFAOYSA-N
MW368.43 g/mol
LogP2.90
Rot. Bonds7

About [2-[3-(ethylcarbamoyl)anilino]-2-oxoethyl] 2-methyl-2-phenylpropanoate

[2-[3-(ethylcarbamoyl)anilino]-2-oxoethyl] 2-methyl-2-phenylpropanoate (PubChem CID 8568243) has the molecular formula C21H24N2O4 and a molecular weight of 368.43 g/mol. Its IUPAC name is [2-[3-(ethylcarbamoyl)anilino]-2-oxoethyl] 2-methyl-2-phenylpropanoate.

Molecular Properties

Compound Name[2-[3-(ethylcarbamoyl)anilino]-2-oxoethyl] 2-methyl-2-phenylpropanoate
PubChem CID8568243
Molecular FormulaC21H24N2O4
Molecular Weight368.43 g/mol
Exact Mass368.17
IUPAC Name[2-[3-(ethylcarbamoyl)anilino]-2-oxoethyl] 2-methyl-2-phenylpropanoate
SMILESCCNC(=O)c1cccc(NC(=O)COC(=O)C(C)(C)c2ccccc2)c1
InChIInChI=1S/C21H24N2O4/c1-4-22-19(25)15-9-8-12-17(13-15)23-18(24)14-27-20(26)21(2,3)16-10-6-5-7-11-16/h5-13H,4,14H2,1-3H3,(H,22,25)(H,23,24)
InChIKeyOIKWERIFXVGAMW-UHFFFAOYSA-N
XLogP2.90
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.43
LogP ≤ 52.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

[2-[3-(diethylcarbamoyl)anilino]-2-oxoethyl] 2-methyl-2-phenylpropanoate
CID 8568240
[2-[3-(ethylcarbamoyl)anilino]-2-oxoethyl] benzoate
CID 17393277
[2-[3-(ethylcarbamoyl)anilino]-2-oxoethyl] (2R)-2-phenylbutanoate
CID 9229993
[2-[3-(ethylcarbamoyl)anilino]-2-oxoethyl] 3-bromobenzoate
CID 9017331
[2-[3-(ethylcarbamoyl)anilino]-2-oxoethyl] 3-methylbenzoate
CID 27893664
1-O-ethyl 4-O-[2-[3-(ethylcarbamoyl)anilino]-2-oxoethyl] (E)-but-2-enedioate
CID 9015321
[2-[3-(ethylcarbamoyl)anilino]-2-oxoethyl] 2-benzylbenzoate
CID 40717948
[2-[3-(ethylcarbamoyl)anilino]-2-oxoethyl] 2-(2-methylphenoxy)acetate
CID 9335752
[2-[3-(ethylcarbamoyl)anilino]-2-oxoethyl] (2S)-2-(benzenesulfonamido)propanoate
CID 55927313
N-ethyl-3-(3-phenylpropanoylamino)benzamide
CID 17230644
[2-[3-(ethylcarbamoyl)anilino]-2-oxoethyl] thiophene-3-carboxylate
CID 8645620
[2-(3-acetylanilino)-2-oxoethyl] 2-benzamidoacetate
CID 2625469

Frequently Asked Questions

What is the IUPAC name of [2-[3-(ethylcarbamoyl)anilino]-2-oxoethyl] 2-methyl-2-phenylpropanoate?
The IUPAC name of [2-[3-(ethylcarbamoyl)anilino]-2-oxoethyl] 2-methyl-2-phenylpropanoate (CID 8568243) is [2-[3-(ethylcarbamoyl)anilino]-2-oxoethyl] 2-methyl-2-phenylpropanoate.
What is the SMILES notation for [2-[3-(ethylcarbamoyl)anilino]-2-oxoethyl] 2-methyl-2-phenylpropanoate?
The canonical SMILES for [2-[3-(ethylcarbamoyl)anilino]-2-oxoethyl] 2-methyl-2-phenylpropanoate is CCNC(=O)c1cccc(NC(=O)COC(=O)C(C)(C)c2ccccc2)c1.
What is the InChIKey of [2-[3-(ethylcarbamoyl)anilino]-2-oxoethyl] 2-methyl-2-phenylpropanoate?
The InChIKey is OIKWERIFXVGAMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N2O4/c1-4-22-19(25)15-9-8-12-17(13-15)23-18(24)14-27-20(26)21(2,3)16-10-6-5-7-11-16/h5-13H,4,14H2,1-3H3,(H,22,25)(H,23,24).
What are the key properties of [2-[3-(ethylcarbamoyl)anilino]-2-oxoethyl] 2-methyl-2-phenylpropanoate?
[2-[3-(ethylcarbamoyl)anilino]-2-oxoethyl] 2-methyl-2-phenylpropanoate has a molecular weight of 368.43 g/mol, XLogP of 2.90, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[3-(ethylcarbamoyl)anilino]-2-oxoethyl] 2-methyl-2-phenylpropanoate is sourced from PubChem (CID 8568243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).