[2-oxo-2-(4-phenylbutan-2-ylamino)ethyl] 2-[(3,5-dimethoxybenzoyl)amino]acetate

C23H28N2O6 — CID 5214804

IUPAC[2-oxo-2-(4-phenylbutan-2-ylamino)ethyl] 2-[(3,5-dimethoxybenzoyl)amino]acetate
SMILESCOc1cc(OC)cc(C(=O)NCC(=O)OCC(=O)NC(C)CCc2ccccc2)c1
InChIInChI=1S/C23H28N2O6/c1-16(9-10-17-7-5-4-6-8-17)25-21(26)15-31-22(27)14-24-23(28)18-11-19(29-2)13-20(12-18)30-3/h4-8,11-13,16H,9-10,14-15H2,1-3H3,(H,24,28)(H,25,26)
InChIKeyYHDIKSNHVPGLRR-UHFFFAOYSA-N
MW428.49 g/mol
LogP2.11
Rot. Bonds11

About [2-oxo-2-(4-phenylbutan-2-ylamino)ethyl] 2-[(3,5-dimethoxybenzoyl)amino]acetate

[2-oxo-2-(4-phenylbutan-2-ylamino)ethyl] 2-[(3,5-dimethoxybenzoyl)amino]acetate (PubChem CID 5214804) has the molecular formula C23H28N2O6 and a molecular weight of 428.49 g/mol. Its IUPAC name is [2-oxo-2-(4-phenylbutan-2-ylamino)ethyl] 2-[(3,5-dimethoxybenzoyl)amino]acetate.

Molecular Properties

Compound Name[2-oxo-2-(4-phenylbutan-2-ylamino)ethyl] 2-[(3,5-dimethoxybenzoyl)amino]acetate
PubChem CID5214804
Molecular FormulaC23H28N2O6
Molecular Weight428.49 g/mol
Exact Mass428.19
IUPAC Name[2-oxo-2-(4-phenylbutan-2-ylamino)ethyl] 2-[(3,5-dimethoxybenzoyl)amino]acetate
SMILESCOc1cc(OC)cc(C(=O)NCC(=O)OCC(=O)NC(C)CCc2ccccc2)c1
InChIInChI=1S/C23H28N2O6/c1-16(9-10-17-7-5-4-6-8-17)25-21(26)15-31-22(27)14-24-23(28)18-11-19(29-2)13-20(12-18)30-3/h4-8,11-13,16H,9-10,14-15H2,1-3H3,(H,24,28)(H,25,26)
InChIKeyYHDIKSNHVPGLRR-UHFFFAOYSA-N
XLogP2.11
TPSA102.96 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.49
LogP ≤ 52.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [2-oxo-2-(4-phenylbutan-2-ylamino)ethyl] 2-[(3,5-dimethoxybenzoyl)amino]acetate?
The IUPAC name of [2-oxo-2-(4-phenylbutan-2-ylamino)ethyl] 2-[(3,5-dimethoxybenzoyl)amino]acetate (CID 5214804) is [2-oxo-2-(4-phenylbutan-2-ylamino)ethyl] 2-[(3,5-dimethoxybenzoyl)amino]acetate.
What is the SMILES notation for [2-oxo-2-(4-phenylbutan-2-ylamino)ethyl] 2-[(3,5-dimethoxybenzoyl)amino]acetate?
The canonical SMILES for [2-oxo-2-(4-phenylbutan-2-ylamino)ethyl] 2-[(3,5-dimethoxybenzoyl)amino]acetate is COc1cc(OC)cc(C(=O)NCC(=O)OCC(=O)NC(C)CCc2ccccc2)c1.
What is the InChIKey of [2-oxo-2-(4-phenylbutan-2-ylamino)ethyl] 2-[(3,5-dimethoxybenzoyl)amino]acetate?
The InChIKey is YHDIKSNHVPGLRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N2O6/c1-16(9-10-17-7-5-4-6-8-17)25-21(26)15-31-22(27)14-24-23(28)18-11-19(29-2)13-20(12-18)30-3/h4-8,11-13,16H,9-10,14-15H2,1-3H3,(H,24,28)(H,25,26).
What are the key properties of [2-oxo-2-(4-phenylbutan-2-ylamino)ethyl] 2-[(3,5-dimethoxybenzoyl)amino]acetate?
[2-oxo-2-(4-phenylbutan-2-ylamino)ethyl] 2-[(3,5-dimethoxybenzoyl)amino]acetate has a molecular weight of 428.49 g/mol, XLogP of 2.11, 11 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-oxo-2-(4-phenylbutan-2-ylamino)ethyl] 2-[(3,5-dimethoxybenzoyl)amino]acetate is sourced from PubChem (CID 5214804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).