ethyl 2-[3-[[[2-(5-benzhydryl-2-oxo-1-pyridinyl)acetyl]amino]methyl]phenoxy]acetate

C31H30N2O5 — CID 59145237

IUPACethyl 2-[3-[[[2-(5-benzhydryl-2-oxo-1-pyridinyl)acetyl]amino]methyl]phenoxy]acetate
SMILESCCOC(=O)COc1cccc(CNC(=O)Cn2cc(C(c3ccccc3)c3ccccc3)ccc2=O)c1
InChIInChI=1S/C31H30N2O5/c1-2-37-30(36)22-38-27-15-9-10-23(18-27)19-32-28(34)21-33-20-26(16-17-29(33)35)31(24-11-5-3-6-12-24)25-13-7-4-8-14-25/h3-18,20,31H,2,19,21-22H2,1H3,(H,32,34)
InChIKeyZNOPWKLUEVCBSY-UHFFFAOYSA-N
MW510.59 g/mol
LogP4.29
Rot. Bonds11

About ethyl 2-[3-[[[2-(5-benzhydryl-2-oxo-1-pyridinyl)acetyl]amino]methyl]phenoxy]acetate

ethyl 2-[3-[[[2-(5-benzhydryl-2-oxo-1-pyridinyl)acetyl]amino]methyl]phenoxy]acetate (PubChem CID 59145237) has the molecular formula C31H30N2O5 and a molecular weight of 510.59 g/mol. Its IUPAC name is ethyl 2-[3-[[[2-(5-benzhydryl-2-oxo-1-pyridinyl)acetyl]amino]methyl]phenoxy]acetate.

Molecular Properties

Compound Nameethyl 2-[3-[[[2-(5-benzhydryl-2-oxo-1-pyridinyl)acetyl]amino]methyl]phenoxy]acetate
PubChem CID59145237
Molecular FormulaC31H30N2O5
Molecular Weight510.59 g/mol
Exact Mass510.22
IUPAC Nameethyl 2-[3-[[[2-(5-benzhydryl-2-oxo-1-pyridinyl)acetyl]amino]methyl]phenoxy]acetate
SMILESCCOC(=O)COc1cccc(CNC(=O)Cn2cc(C(c3ccccc3)c3ccccc3)ccc2=O)c1
InChIInChI=1S/C31H30N2O5/c1-2-37-30(36)22-38-27-15-9-10-23(18-27)19-32-28(34)21-33-20-26(16-17-29(33)35)31(24-11-5-3-6-12-24)25-13-7-4-8-14-25/h3-18,20,31H,2,19,21-22H2,1H3,(H,32,34)
InChIKeyZNOPWKLUEVCBSY-UHFFFAOYSA-N
XLogP4.29
TPSA86.63 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500510.59
LogP ≤ 54.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze ethyl 2-[3-[[[2-(5-benzhydryl-2-oxo-1-pyridinyl)acetyl]amino]methyl]phenoxy]acetate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[3-[[[2-(5-benzhydryl-2-oxo-1-pyridinyl)acetyl]amino]methyl]phenoxy]acetate?
The IUPAC name of ethyl 2-[3-[[[2-(5-benzhydryl-2-oxo-1-pyridinyl)acetyl]amino]methyl]phenoxy]acetate (CID 59145237) is ethyl 2-[3-[[[2-(5-benzhydryl-2-oxo-1-pyridinyl)acetyl]amino]methyl]phenoxy]acetate.
What is the SMILES notation for ethyl 2-[3-[[[2-(5-benzhydryl-2-oxo-1-pyridinyl)acetyl]amino]methyl]phenoxy]acetate?
The canonical SMILES for ethyl 2-[3-[[[2-(5-benzhydryl-2-oxo-1-pyridinyl)acetyl]amino]methyl]phenoxy]acetate is CCOC(=O)COc1cccc(CNC(=O)Cn2cc(C(c3ccccc3)c3ccccc3)ccc2=O)c1.
What is the InChIKey of ethyl 2-[3-[[[2-(5-benzhydryl-2-oxo-1-pyridinyl)acetyl]amino]methyl]phenoxy]acetate?
The InChIKey is ZNOPWKLUEVCBSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H30N2O5/c1-2-37-30(36)22-38-27-15-9-10-23(18-27)19-32-28(34)21-33-20-26(16-17-29(33)35)31(24-11-5-3-6-12-24)25-13-7-4-8-14-25/h3-18,20,31H,2,19,21-22H2,1H3,(H,32,34).
What are the key properties of ethyl 2-[3-[[[2-(5-benzhydryl-2-oxo-1-pyridinyl)acetyl]amino]methyl]phenoxy]acetate?
ethyl 2-[3-[[[2-(5-benzhydryl-2-oxo-1-pyridinyl)acetyl]amino]methyl]phenoxy]acetate has a molecular weight of 510.59 g/mol, XLogP of 4.29, 11 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[3-[[[2-(5-benzhydryl-2-oxo-1-pyridinyl)acetyl]amino]methyl]phenoxy]acetate is sourced from PubChem (CID 59145237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).