[2-[3-(diethylcarbamoyl)anilino]-2-oxoethyl] (2S)-2-hydroxy-2-phenylacetate

C21H24N2O5 — CID 9007671

IUPAC[2-[3-(diethylcarbamoyl)anilino]-2-oxoethyl] (2S)-2-hydroxy-2-phenylacetate
SMILESCCN(CC)C(=O)c1cccc(NC(=O)COC(=O)[C@@H](O)c2ccccc2)c1
InChIInChI=1S/C21H24N2O5/c1-3-23(4-2)20(26)16-11-8-12-17(13-16)22-18(24)14-28-21(27)19(25)15-9-6-5-7-10-15/h5-13,19,25H,3-4,14H2,1-2H3,(H,22,24)/t19-/m0/s1
InChIKeyNUCJAEROIODUNQ-IBGZPJMESA-N
MW384.43 g/mol
LogP2.38
Rot. Bonds8

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

[2-[3-(diethylcarbamoyl)anilino]-2-oxoethyl] (2S)-2-hydroxy-2-phenylacetate (PubChem CID 9007671) has the molecular formula C21H24N2O5 and a molecular weight of 384.43 g/mol. Its IUPAC name is [2-[3-(diethylcarbamoyl)anilino]-2-oxoethyl] (2S)-2-hydroxy-2-phenylacetate.

Molecular Properties

Compound Name[2-[3-(diethylcarbamoyl)anilino]-2-oxoethyl] (2S)-2-hydroxy-2-phenylacetate
PubChem CID9007671
Molecular FormulaC21H24N2O5
Molecular Weight384.43 g/mol
Exact Mass384.17
IUPAC Name[2-[3-(diethylcarbamoyl)anilino]-2-oxoethyl] (2S)-2-hydroxy-2-phenylacetate
SMILESCCN(CC)C(=O)c1cccc(NC(=O)COC(=O)[C@@H](O)c2ccccc2)c1
InChIInChI=1S/C21H24N2O5/c1-3-23(4-2)20(26)16-11-8-12-17(13-16)22-18(24)14-28-21(27)19(25)15-9-6-5-7-10-15/h5-13,19,25H,3-4,14H2,1-2H3,(H,22,24)/t19-/m0/s1
InChIKeyNUCJAEROIODUNQ-IBGZPJMESA-N
XLogP2.38
TPSA95.94 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.43
LogP ≤ 52.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

[2-[3-(methylcarbamoyl)anilino]-2-oxoethyl] (2S)-2-hydroxy-2-phenylacetate
CID 9007695
[2-[3-(methylcarbamoyl)anilino]-2-oxoethyl] (2R)-2-hydroxy-2-phenylacetate
CID 9007692
N,N-diethyl-3-[(2-hydroxy-2-phenylacetyl)amino]benzamide
CID 111432146
[2-[3-(diethylcarbamoyl)anilino]-2-oxoethyl] (2S)-2-phenoxypropanoate
CID 9348351
[2-[3-(diethylcarbamoyl)anilino]-2-oxoethyl] 2-methoxyacetate
CID 9230199
[2-[3-(diethylcarbamoyl)anilino]-2-oxoethyl] 2-methyl-2-phenylpropanoate
CID 8568240
[2-[3-(diethylcarbamoyl)anilino]-2-oxoethyl] 3,4-dimethylbenzoate
CID 9290674
[2-[3-(diethylcarbamoyl)anilino]-2-oxoethyl] 3-phenoxypropanoate
CID 8579079
4-O-[2-[3-(diethylcarbamoyl)anilino]-2-oxoethyl] 1-O-ethyl (E)-but-2-enedioate
CID 9015295
[2-[3-(diethylcarbamoyl)anilino]-2-oxoethyl] 3-amino-4-methylbenzoate
CID 9289521
N,N-diethyl-3-[[2-(3-formylphenoxy)acetyl]amino]benzamide
CID 60607023
3-[[2-(2,3-dimethylphenoxy)acetyl]amino]-N,N-diethylbenzamide
CID 31288850

Frequently Asked Questions

What is the IUPAC name of [2-[3-(diethylcarbamoyl)anilino]-2-oxoethyl] (2S)-2-hydroxy-2-phenylacetate?
The IUPAC name of [2-[3-(diethylcarbamoyl)anilino]-2-oxoethyl] (2S)-2-hydroxy-2-phenylacetate (CID 9007671) is [2-[3-(diethylcarbamoyl)anilino]-2-oxoethyl] (2S)-2-hydroxy-2-phenylacetate.
What is the SMILES notation for [2-[3-(diethylcarbamoyl)anilino]-2-oxoethyl] (2S)-2-hydroxy-2-phenylacetate?
The canonical SMILES for [2-[3-(diethylcarbamoyl)anilino]-2-oxoethyl] (2S)-2-hydroxy-2-phenylacetate is CCN(CC)C(=O)c1cccc(NC(=O)COC(=O)[C@@H](O)c2ccccc2)c1.
What is the InChIKey of [2-[3-(diethylcarbamoyl)anilino]-2-oxoethyl] (2S)-2-hydroxy-2-phenylacetate?
The InChIKey is NUCJAEROIODUNQ-IBGZPJMESA-N. The full InChI is InChI=1S/C21H24N2O5/c1-3-23(4-2)20(26)16-11-8-12-17(13-16)22-18(24)14-28-21(27)19(25)15-9-6-5-7-10-15/h5-13,19,25H,3-4,14H2,1-2H3,(H,22,24)/t19-/m0/s1.
What are the key properties of [2-[3-(diethylcarbamoyl)anilino]-2-oxoethyl] (2S)-2-hydroxy-2-phenylacetate?
[2-[3-(diethylcarbamoyl)anilino]-2-oxoethyl] (2S)-2-hydroxy-2-phenylacetate has a molecular weight of 384.43 g/mol, XLogP of 2.38, 8 rotatable bonds, 2 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-hydroxy-2-phenylacetate is sourced from PubChem (CID 9007671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).