[2-oxo-2-(4-phenylbutan-2-ylamino)ethyl] 2-[(4-phenoxybenzoyl)amino]acetate

C27H28N2O5 — CID 42962919

IUPAC[2-oxo-2-(4-phenylbutan-2-ylamino)ethyl] 2-[(4-phenoxybenzoyl)amino]acetate
SMILESCC(CCc1ccccc1)NC(=O)COC(=O)CNC(=O)c1ccc(Oc2ccccc2)cc1
InChIInChI=1S/C27H28N2O5/c1-20(12-13-21-8-4-2-5-9-21)29-25(30)19-33-26(31)18-28-27(32)22-14-16-24(17-15-22)34-23-10-6-3-7-11-23/h2-11,14-17,20H,12-13,18-19H2,1H3,(H,28,32)(H,29,30)
InChIKeyJRFWWOUIPZOLNA-UHFFFAOYSA-N
MW460.53 g/mol
LogP3.89
Rot. Bonds11

About [2-oxo-2-(4-phenylbutan-2-ylamino)ethyl] 2-[(4-phenoxybenzoyl)amino]acetate

[2-oxo-2-(4-phenylbutan-2-ylamino)ethyl] 2-[(4-phenoxybenzoyl)amino]acetate (PubChem CID 42962919) has the molecular formula C27H28N2O5 and a molecular weight of 460.53 g/mol. Its IUPAC name is [2-oxo-2-(4-phenylbutan-2-ylamino)ethyl] 2-[(4-phenoxybenzoyl)amino]acetate.

Molecular Properties

Compound Name[2-oxo-2-(4-phenylbutan-2-ylamino)ethyl] 2-[(4-phenoxybenzoyl)amino]acetate
PubChem CID42962919
Molecular FormulaC27H28N2O5
Molecular Weight460.53 g/mol
Exact Mass460.20
IUPAC Name[2-oxo-2-(4-phenylbutan-2-ylamino)ethyl] 2-[(4-phenoxybenzoyl)amino]acetate
SMILESCC(CCc1ccccc1)NC(=O)COC(=O)CNC(=O)c1ccc(Oc2ccccc2)cc1
InChIInChI=1S/C27H28N2O5/c1-20(12-13-21-8-4-2-5-9-21)29-25(30)19-33-26(31)18-28-27(32)22-14-16-24(17-15-22)34-23-10-6-3-7-11-23/h2-11,14-17,20H,12-13,18-19H2,1H3,(H,28,32)(H,29,30)
InChIKeyJRFWWOUIPZOLNA-UHFFFAOYSA-N
XLogP3.89
TPSA93.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500460.53
LogP ≤ 53.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze [2-oxo-2-(4-phenylbutan-2-ylamino)ethyl] 2-[(4-phenoxybenzoyl)amino]acetate with MolForge

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Related Compounds

N-[2-oxo-2-[[(2S)-4-phenylbutan-2-yl]amino]ethyl]-4-phenoxybenzamide
CID 25483291
[2-(benzylamino)-2-oxoethyl] 2-[(4-phenoxybenzoyl)amino]acetate
CID 7833383
[2-oxo-2-[[(2S)-pentan-2-yl]amino]ethyl] 2-benzamidoacetate
CID 7783131
[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl] 2-[(4-phenoxybenzoyl)amino]acetate
CID 8790244
4-butoxy-N-[2-oxo-2-(4-phenylbutan-2-ylamino)ethyl]benzamide
CID 24677699
[2-(tert-butylcarbamoylamino)-2-oxoethyl] 2-[(4-phenoxybenzoyl)amino]acetate
CID 3386791
[(2R)-1-oxo-1-[[(2S)-4-phenylbutan-2-yl]amino]propan-2-yl] 2-[(4-ethoxybenzoyl)amino]acetate
CID 7899514
N-[2-(1-methoxypropan-2-ylamino)-2-oxoethyl]-4-phenoxybenzamide
CID 17473181
[2-oxo-2-[[(2R)-4-phenylbutan-2-yl]amino]ethyl] 2-(4-methylphenoxy)acetate
CID 95795801
[2-(cyclopropylamino)-2-oxoethyl] 2-[(4-phenoxybenzoyl)amino]acetate
CID 40703234
[2-[2-(4-fluorobenzoyl)hydrazinyl]-2-oxoethyl] 2-[(4-phenoxybenzoyl)amino]acetate
CID 16530168
2-phenoxyethyl 2-[(4-phenoxybenzoyl)amino]acetate
CID 7833308

Frequently Asked Questions

What is the IUPAC name of [2-oxo-2-(4-phenylbutan-2-ylamino)ethyl] 2-[(4-phenoxybenzoyl)amino]acetate?
The IUPAC name of [2-oxo-2-(4-phenylbutan-2-ylamino)ethyl] 2-[(4-phenoxybenzoyl)amino]acetate (CID 42962919) is [2-oxo-2-(4-phenylbutan-2-ylamino)ethyl] 2-[(4-phenoxybenzoyl)amino]acetate.
What is the SMILES notation for [2-oxo-2-(4-phenylbutan-2-ylamino)ethyl] 2-[(4-phenoxybenzoyl)amino]acetate?
The canonical SMILES for [2-oxo-2-(4-phenylbutan-2-ylamino)ethyl] 2-[(4-phenoxybenzoyl)amino]acetate is CC(CCc1ccccc1)NC(=O)COC(=O)CNC(=O)c1ccc(Oc2ccccc2)cc1.
What is the InChIKey of [2-oxo-2-(4-phenylbutan-2-ylamino)ethyl] 2-[(4-phenoxybenzoyl)amino]acetate?
The InChIKey is JRFWWOUIPZOLNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H28N2O5/c1-20(12-13-21-8-4-2-5-9-21)29-25(30)19-33-26(31)18-28-27(32)22-14-16-24(17-15-22)34-23-10-6-3-7-11-23/h2-11,14-17,20H,12-13,18-19H2,1H3,(H,28,32)(H,29,30).
What are the key properties of [2-oxo-2-(4-phenylbutan-2-ylamino)ethyl] 2-[(4-phenoxybenzoyl)amino]acetate?
[2-oxo-2-(4-phenylbutan-2-ylamino)ethyl] 2-[(4-phenoxybenzoyl)amino]acetate has a molecular weight of 460.53 g/mol, XLogP of 3.89, 11 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-oxo-2-(4-phenylbutan-2-ylamino)ethyl] 2-[(4-phenoxybenzoyl)amino]acetate is sourced from PubChem (CID 42962919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).