2-phenylethyl 4-oxo-4-[3-[(2-phenoxyacetyl)amino]anilino]butanoate

C26H26N2O5 — CID 17231357

IUPAC2-phenylethyl 4-oxo-4-[3-[(2-phenoxyacetyl)amino]anilino]butanoate
SMILESO=C(CCC(=O)OCCc1ccccc1)Nc1cccc(NC(=O)COc2ccccc2)c1
InChIInChI=1S/C26H26N2O5/c29-24(14-15-26(31)32-17-16-20-8-3-1-4-9-20)27-21-10-7-11-22(18-21)28-25(30)19-33-23-12-5-2-6-13-23/h1-13,18H,14-17,19H2,(H,27,29)(H,28,30)
InChIKeyNHJVIBNYYZTZMR-UHFFFAOYSA-N
MW446.50 g/mol
LogP4.21
Rot. Bonds11

About 2-phenylethyl 4-oxo-4-[3-[(2-phenoxyacetyl)amino]anilino]butanoate

2-phenylethyl 4-oxo-4-[3-[(2-phenoxyacetyl)amino]anilino]butanoate (PubChem CID 17231357) has the molecular formula C26H26N2O5 and a molecular weight of 446.50 g/mol. Its IUPAC name is 2-phenylethyl 4-oxo-4-[3-[(2-phenoxyacetyl)amino]anilino]butanoate.

Molecular Properties

Compound Name2-phenylethyl 4-oxo-4-[3-[(2-phenoxyacetyl)amino]anilino]butanoate
PubChem CID17231357
Molecular FormulaC26H26N2O5
Molecular Weight446.50 g/mol
Exact Mass446.18
IUPAC Name2-phenylethyl 4-oxo-4-[3-[(2-phenoxyacetyl)amino]anilino]butanoate
SMILESO=C(CCC(=O)OCCc1ccccc1)Nc1cccc(NC(=O)COc2ccccc2)c1
InChIInChI=1S/C26H26N2O5/c29-24(14-15-26(31)32-17-16-20-8-3-1-4-9-20)27-21-10-7-11-22(18-21)28-25(30)19-33-23-12-5-2-6-13-23/h1-13,18H,14-17,19H2,(H,27,29)(H,28,30)
InChIKeyNHJVIBNYYZTZMR-UHFFFAOYSA-N
XLogP4.21
TPSA93.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.50
LogP ≤ 54.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-phenylethyl 4-oxo-4-[3-(2-phenoxyethoxy)anilino]butanoate
CID 17123549
2-phenylethyl 4-oxo-4-[3-(3-phenylpropoxy)anilino]butanoate
CID 17133245
2-phenylethyl 4-[3-(furan-2-carbonylamino)anilino]-4-oxobutanoate
CID 26169071
2-methoxyethyl 4-oxo-4-[3-[(2-phenylacetyl)amino]anilino]butanoate
CID 17235638
3-phenylpropyl 5-oxo-5-[3-(3-phenylpropoxy)anilino]pentanoate
CID 17133251
N-[3-(aminomethyl)phenyl]-2-phenoxyacetamide
CID 16781265
2-phenylethyl 4-oxo-4-[[3-(3-phenylpropoxy)phenyl]carbamothioylamino]butanoate
CID 17133389
N-[3-[(2-naphthalen-2-yloxyacetyl)amino]phenyl]-3-phenylpropanamide
CID 17222822
2-phenylethyl 4-(4-hexoxyanilino)-4-oxobutanoate
CID 4939403
3-(4-aminophenyl)-N-[3-(2-phenylethoxy)phenyl]propanamide
CID 54795311
4-chloro-N-[3-(2-phenylethoxy)phenyl]butanamide
CID 17161027
3-phenylpropyl 5-oxo-5-[3-(3-phenylpropanoylamino)anilino]pentanoate
CID 17222891

Frequently Asked Questions

What is the IUPAC name of 2-phenylethyl 4-oxo-4-[3-[(2-phenoxyacetyl)amino]anilino]butanoate?
The IUPAC name of 2-phenylethyl 4-oxo-4-[3-[(2-phenoxyacetyl)amino]anilino]butanoate (CID 17231357) is 2-phenylethyl 4-oxo-4-[3-[(2-phenoxyacetyl)amino]anilino]butanoate.
What is the SMILES notation for 2-phenylethyl 4-oxo-4-[3-[(2-phenoxyacetyl)amino]anilino]butanoate?
The canonical SMILES for 2-phenylethyl 4-oxo-4-[3-[(2-phenoxyacetyl)amino]anilino]butanoate is O=C(CCC(=O)OCCc1ccccc1)Nc1cccc(NC(=O)COc2ccccc2)c1.
What is the InChIKey of 2-phenylethyl 4-oxo-4-[3-[(2-phenoxyacetyl)amino]anilino]butanoate?
The InChIKey is NHJVIBNYYZTZMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H26N2O5/c29-24(14-15-26(31)32-17-16-20-8-3-1-4-9-20)27-21-10-7-11-22(18-21)28-25(30)19-33-23-12-5-2-6-13-23/h1-13,18H,14-17,19H2,(H,27,29)(H,28,30).
What are the key properties of 2-phenylethyl 4-oxo-4-[3-[(2-phenoxyacetyl)amino]anilino]butanoate?
2-phenylethyl 4-oxo-4-[3-[(2-phenoxyacetyl)amino]anilino]butanoate has a molecular weight of 446.50 g/mol, XLogP of 4.21, 11 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenylethyl 4-oxo-4-[3-[(2-phenoxyacetyl)amino]anilino]butanoate is sourced from PubChem (CID 17231357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).