[2-[3-(ethylcarbamoyl)anilino]-2-oxoethyl] (2R)-2-phenylbutanoate

C21H24N2O4 — CID 9229993

IUPAC[2-[3-(ethylcarbamoyl)anilino]-2-oxoethyl] (2R)-2-phenylbutanoate
SMILESCCNC(=O)c1cccc(NC(=O)COC(=O)[C@H](CC)c2ccccc2)c1
InChIInChI=1S/C21H24N2O4/c1-3-18(15-9-6-5-7-10-15)21(26)27-14-19(24)23-17-12-8-11-16(13-17)20(25)22-4-2/h5-13,18H,3-4,14H2,1-2H3,(H,22,25)(H,23,24)/t18-/m1/s1
InChIKeyGSRANQOLJQEOQI-GOSISDBHSA-N
MW368.43 g/mol
LogP3.11
Rot. Bonds8

About [2-[3-(ethylcarbamoyl)anilino]-2-oxoethyl] (2R)-2-phenylbutanoate

[2-[3-(ethylcarbamoyl)anilino]-2-oxoethyl] (2R)-2-phenylbutanoate (PubChem CID 9229993) has the molecular formula C21H24N2O4 and a molecular weight of 368.43 g/mol. Its IUPAC name is [2-[3-(ethylcarbamoyl)anilino]-2-oxoethyl] (2R)-2-phenylbutanoate.

Molecular Properties

Compound Name[2-[3-(ethylcarbamoyl)anilino]-2-oxoethyl] (2R)-2-phenylbutanoate
PubChem CID9229993
Molecular FormulaC21H24N2O4
Molecular Weight368.43 g/mol
Exact Mass368.17
IUPAC Name[2-[3-(ethylcarbamoyl)anilino]-2-oxoethyl] (2R)-2-phenylbutanoate
SMILESCCNC(=O)c1cccc(NC(=O)COC(=O)[C@H](CC)c2ccccc2)c1
InChIInChI=1S/C21H24N2O4/c1-3-18(15-9-6-5-7-10-15)21(26)27-14-19(24)23-17-12-8-11-16(13-17)20(25)22-4-2/h5-13,18H,3-4,14H2,1-2H3,(H,22,25)(H,23,24)/t18-/m1/s1
InChIKeyGSRANQOLJQEOQI-GOSISDBHSA-N
XLogP3.11
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.43
LogP ≤ 53.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

[2-(3-bromoanilino)-2-oxoethyl] (2S)-2-phenylbutanoate
CID 2336027
[2-[3-(ethylcarbamoyl)anilino]-2-oxoethyl] benzoate
CID 17393277
[2-(4-carbamoylanilino)-2-oxoethyl] (2S)-2-phenylbutanoate
CID 2353550
[2-[3-(ethylcarbamoyl)anilino]-2-oxoethyl] (2S)-2-(benzenesulfonamido)propanoate
CID 55927313
[2-[3-(ethylcarbamoyl)anilino]-2-oxoethyl] 2-methyl-2-phenylpropanoate
CID 8568243
[2-[3-(methylcarbamoyl)anilino]-2-oxoethyl] (2S)-2-hydroxy-2-phenylacetate
CID 9007695
[2-[3-(ethylcarbamoyl)anilino]-2-oxoethyl] 3-bromobenzoate
CID 9017331
[2-[3-(methylcarbamoyl)anilino]-2-oxoethyl] (2R)-2-hydroxy-2-phenylacetate
CID 9007692
1-O-ethyl 4-O-[2-[3-(ethylcarbamoyl)anilino]-2-oxoethyl] (E)-but-2-enedioate
CID 9015321
[2-[3-(ethylcarbamoyl)anilino]-2-oxoethyl] 3-methylbenzoate
CID 27893664
[2-[3-(ethylcarbamoyl)anilino]-2-oxoethyl] thiophene-3-carboxylate
CID 8645620
[2-[3-(ethylcarbamoyl)anilino]-2-oxoethyl] 2-benzylbenzoate
CID 40717948

Frequently Asked Questions

What is the IUPAC name of [2-[3-(ethylcarbamoyl)anilino]-2-oxoethyl] (2R)-2-phenylbutanoate?
The IUPAC name of [2-[3-(ethylcarbamoyl)anilino]-2-oxoethyl] (2R)-2-phenylbutanoate (CID 9229993) is [2-[3-(ethylcarbamoyl)anilino]-2-oxoethyl] (2R)-2-phenylbutanoate.
What is the SMILES notation for [2-[3-(ethylcarbamoyl)anilino]-2-oxoethyl] (2R)-2-phenylbutanoate?
The canonical SMILES for [2-[3-(ethylcarbamoyl)anilino]-2-oxoethyl] (2R)-2-phenylbutanoate is CCNC(=O)c1cccc(NC(=O)COC(=O)[C@H](CC)c2ccccc2)c1.
What is the InChIKey of [2-[3-(ethylcarbamoyl)anilino]-2-oxoethyl] (2R)-2-phenylbutanoate?
The InChIKey is GSRANQOLJQEOQI-GOSISDBHSA-N. The full InChI is InChI=1S/C21H24N2O4/c1-3-18(15-9-6-5-7-10-15)21(26)27-14-19(24)23-17-12-8-11-16(13-17)20(25)22-4-2/h5-13,18H,3-4,14H2,1-2H3,(H,22,25)(H,23,24)/t18-/m1/s1.
What are the key properties of [2-[3-(ethylcarbamoyl)anilino]-2-oxoethyl] (2R)-2-phenylbutanoate?
[2-[3-(ethylcarbamoyl)anilino]-2-oxoethyl] (2R)-2-phenylbutanoate has a molecular weight of 368.43 g/mol, XLogP of 3.11, 8 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] (2R)-2-phenylbutanoate is sourced from PubChem (CID 9229993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).