[2-[3-(diethylcarbamoyl)anilino]-2-oxoethyl] (2S)-2-phenoxypropanoate

C22H26N2O5 — CID 9348351

IUPAC[2-[3-(diethylcarbamoyl)anilino]-2-oxoethyl] (2S)-2-phenoxypropanoate
SMILESCCN(CC)C(=O)c1cccc(NC(=O)COC(=O)[C@H](C)Oc2ccccc2)c1
InChIInChI=1S/C22H26N2O5/c1-4-24(5-2)21(26)17-10-9-11-18(14-17)23-20(25)15-28-22(27)16(3)29-19-12-7-6-8-13-19/h6-14,16H,4-5,15H2,1-3H3,(H,23,25)/t16-/m0/s1
InChIKeyHBULQIFMJYQUKH-INIZCTEOSA-N
MW398.46 g/mol
LogP3.12
Rot. Bonds9

About [2-[3-(diethylcarbamoyl)anilino]-2-oxoethyl] (2S)-2-phenoxypropanoate

[2-[3-(diethylcarbamoyl)anilino]-2-oxoethyl] (2S)-2-phenoxypropanoate (PubChem CID 9348351) has the molecular formula C22H26N2O5 and a molecular weight of 398.46 g/mol. Its IUPAC name is [2-[3-(diethylcarbamoyl)anilino]-2-oxoethyl] (2S)-2-phenoxypropanoate.

Molecular Properties

Compound Name[2-[3-(diethylcarbamoyl)anilino]-2-oxoethyl] (2S)-2-phenoxypropanoate
PubChem CID9348351
Molecular FormulaC22H26N2O5
Molecular Weight398.46 g/mol
Exact Mass398.18
IUPAC Name[2-[3-(diethylcarbamoyl)anilino]-2-oxoethyl] (2S)-2-phenoxypropanoate
SMILESCCN(CC)C(=O)c1cccc(NC(=O)COC(=O)[C@H](C)Oc2ccccc2)c1
InChIInChI=1S/C22H26N2O5/c1-4-24(5-2)21(26)17-10-9-11-18(14-17)23-20(25)15-28-22(27)16(3)29-19-12-7-6-8-13-19/h6-14,16H,4-5,15H2,1-3H3,(H,23,25)/t16-/m0/s1
InChIKeyHBULQIFMJYQUKH-INIZCTEOSA-N
XLogP3.12
TPSA84.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.46
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[2-[3-(diethylcarbamoyl)anilino]-2-oxoethyl] (2S)-2-hydroxy-2-phenylacetate
CID 9007671
[2-(3-methoxyanilino)-2-oxoethyl] (2R)-2-phenoxypropanoate
CID 7833680
[2-[3-(diethylcarbamoyl)anilino]-2-oxoethyl] 3-phenoxypropanoate
CID 8579079
dimethyl 5-[[2-(2-phenoxypropanoyloxy)acetyl]amino]benzene-1,3-dicarboxylate
CID 55315340
[2-[3-(diethylcarbamoyl)anilino]-2-oxoethyl] 2-methoxyacetate
CID 9230199
[2-[3-(diethylcarbamoyl)anilino]-2-oxoethyl] 2-methyl-2-phenylpropanoate
CID 8568240
3-[[2-(3-bromophenoxy)acetyl]amino]-N,N-diethylbenzamide
CID 27875323
3-[(2-phenoxyacetyl)amino]-N,N-dipropylbenzamide
CID 26162248
4-O-[2-[3-(diethylcarbamoyl)anilino]-2-oxoethyl] 1-O-ethyl (E)-but-2-enedioate
CID 9015295
[2-[3-(ethylcarbamoyl)anilino]-2-oxoethyl] (2R)-2-(4-cyanophenoxy)propanoate
CID 8510532
[2-(3-acetylanilino)-2-oxoethyl] (2S)-2-(4-cyanophenoxy)propanoate
CID 7984052
N,N-diethyl-3-[[2-(4-propoxyphenoxy)acetyl]amino]benzamide
CID 78775457

Frequently Asked Questions

What is the IUPAC name of [2-[3-(diethylcarbamoyl)anilino]-2-oxoethyl] (2S)-2-phenoxypropanoate?
The IUPAC name of [2-[3-(diethylcarbamoyl)anilino]-2-oxoethyl] (2S)-2-phenoxypropanoate (CID 9348351) is [2-[3-(diethylcarbamoyl)anilino]-2-oxoethyl] (2S)-2-phenoxypropanoate.
What is the SMILES notation for [2-[3-(diethylcarbamoyl)anilino]-2-oxoethyl] (2S)-2-phenoxypropanoate?
The canonical SMILES for [2-[3-(diethylcarbamoyl)anilino]-2-oxoethyl] (2S)-2-phenoxypropanoate is CCN(CC)C(=O)c1cccc(NC(=O)COC(=O)[C@H](C)Oc2ccccc2)c1.
What is the InChIKey of [2-[3-(diethylcarbamoyl)anilino]-2-oxoethyl] (2S)-2-phenoxypropanoate?
The InChIKey is HBULQIFMJYQUKH-INIZCTEOSA-N. The full InChI is InChI=1S/C22H26N2O5/c1-4-24(5-2)21(26)17-10-9-11-18(14-17)23-20(25)15-28-22(27)16(3)29-19-12-7-6-8-13-19/h6-14,16H,4-5,15H2,1-3H3,(H,23,25)/t16-/m0/s1.
What are the key properties of [2-[3-(diethylcarbamoyl)anilino]-2-oxoethyl] (2S)-2-phenoxypropanoate?
[2-[3-(diethylcarbamoyl)anilino]-2-oxoethyl] (2S)-2-phenoxypropanoate has a molecular weight of 398.46 g/mol, XLogP of 3.12, 9 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] (2S)-2-phenoxypropanoate is sourced from PubChem (CID 9348351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).