[2-(4-butylanilino)-2-oxoethyl] (2S)-2-hydroxy-2-phenylacetate

C20H23NO4 — CID 7834240

IUPAC[2-(4-butylanilino)-2-oxoethyl] (2S)-2-hydroxy-2-phenylacetate
SMILESCCCCc1ccc(NC(=O)COC(=O)[C@@H](O)c2ccccc2)cc1
InChIInChI=1S/C20H23NO4/c1-2-3-7-15-10-12-17(13-11-15)21-18(22)14-25-20(24)19(23)16-8-5-4-6-9-16/h4-6,8-13,19,23H,2-3,7,14H2,1H3,(H,21,22)/t19-/m0/s1
InChIKeyUXVLCIMQDQDGKZ-IBGZPJMESA-N
MW341.41 g/mol
LogP3.24
Rot. Bonds8

About [2-(4-butylanilino)-2-oxoethyl] (2S)-2-hydroxy-2-phenylacetate

[2-(4-butylanilino)-2-oxoethyl] (2S)-2-hydroxy-2-phenylacetate (PubChem CID 7834240) has the molecular formula C20H23NO4 and a molecular weight of 341.41 g/mol. Its IUPAC name is [2-(4-butylanilino)-2-oxoethyl] (2S)-2-hydroxy-2-phenylacetate.

Molecular Properties

Compound Name[2-(4-butylanilino)-2-oxoethyl] (2S)-2-hydroxy-2-phenylacetate
PubChem CID7834240
Molecular FormulaC20H23NO4
Molecular Weight341.41 g/mol
Exact Mass341.16
IUPAC Name[2-(4-butylanilino)-2-oxoethyl] (2S)-2-hydroxy-2-phenylacetate
SMILESCCCCc1ccc(NC(=O)COC(=O)[C@@H](O)c2ccccc2)cc1
InChIInChI=1S/C20H23NO4/c1-2-3-7-15-10-12-17(13-11-15)21-18(22)14-25-20(24)19(23)16-8-5-4-6-9-16/h4-6,8-13,19,23H,2-3,7,14H2,1H3,(H,21,22)/t19-/m0/s1
InChIKeyUXVLCIMQDQDGKZ-IBGZPJMESA-N
XLogP3.24
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.41
LogP ≤ 53.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

[2-[4-[(2S)-butan-2-yl]anilino]-2-oxoethyl] (2S)-2-hydroxy-2-phenylacetate
CID 7834192
[2-[4-(4-methylphenoxy)anilino]-2-oxoethyl] (2R)-2-hydroxy-2-phenylacetate
CID 7834262
[2-(4-butylanilino)-2-oxoethyl] 4-phenoxybutanoate
CID 7729358
[2-(4-butylanilino)-2-oxoethyl] 2-benzylbenzoate
CID 7809575
[2-(4-butylanilino)-2-oxoethyl] 2,3-dimethylbenzoate
CID 2390832
N-(4-butylphenyl)-4-phenylbutanamide
CID 7313944
(2R)-N-(4-butylphenyl)-2-methoxy-2-phenylacetamide
CID 2207661
[2-(3,4-dimethoxyanilino)-2-oxoethyl] (2R)-2-hydroxy-2-phenylacetate
CID 7834231
[2-(4-butylanilino)-2-oxoethyl] furan-2-carboxylate
CID 2356450
[2-(4-butylanilino)-2-oxoethyl] 2-(2-methoxyphenyl)acetate
CID 71820795
[2-(4-butylanilino)-2-oxoethyl] 2-(2-methoxyphenoxy)acetate
CID 2116755
2-(2-aminophenyl)sulfanyl-N-(4-butylphenyl)acetamide
CID 3604206

Frequently Asked Questions

What is the IUPAC name of [2-(4-butylanilino)-2-oxoethyl] (2S)-2-hydroxy-2-phenylacetate?
The IUPAC name of [2-(4-butylanilino)-2-oxoethyl] (2S)-2-hydroxy-2-phenylacetate (CID 7834240) is [2-(4-butylanilino)-2-oxoethyl] (2S)-2-hydroxy-2-phenylacetate.
What is the SMILES notation for [2-(4-butylanilino)-2-oxoethyl] (2S)-2-hydroxy-2-phenylacetate?
The canonical SMILES for [2-(4-butylanilino)-2-oxoethyl] (2S)-2-hydroxy-2-phenylacetate is CCCCc1ccc(NC(=O)COC(=O)[C@@H](O)c2ccccc2)cc1.
What is the InChIKey of [2-(4-butylanilino)-2-oxoethyl] (2S)-2-hydroxy-2-phenylacetate?
The InChIKey is UXVLCIMQDQDGKZ-IBGZPJMESA-N. The full InChI is InChI=1S/C20H23NO4/c1-2-3-7-15-10-12-17(13-11-15)21-18(22)14-25-20(24)19(23)16-8-5-4-6-9-16/h4-6,8-13,19,23H,2-3,7,14H2,1H3,(H,21,22)/t19-/m0/s1.
What are the key properties of [2-(4-butylanilino)-2-oxoethyl] (2S)-2-hydroxy-2-phenylacetate?
[2-(4-butylanilino)-2-oxoethyl] (2S)-2-hydroxy-2-phenylacetate has a molecular weight of 341.41 g/mol, XLogP of 3.24, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(4-butylanilino)-2-oxoethyl] (2S)-2-hydroxy-2-phenylacetate is sourced from PubChem (CID 7834240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).