N-[4-(oxan-2-ylmethoxy)phenyl]-2-(5-oxo-2-phenylcyclopenten-1-yl)acetamide

C25H27NO4 — CID 131898114

IUPACN-[4-(oxan-2-ylmethoxy)phenyl]-2-(5-oxo-2-phenylcyclopenten-1-yl)acetamide
SMILESO=C(CC1=C(c2ccccc2)CCC1=O)Nc1ccc(OCC2CCCCO2)cc1
InChIInChI=1S/C25H27NO4/c27-24-14-13-22(18-6-2-1-3-7-18)23(24)16-25(28)26-19-9-11-20(12-10-19)30-17-21-8-4-5-15-29-21/h1-3,6-7,9-12,21H,4-5,8,13-17H2,(H,26,28)
InChIKeyYEZJEDDLVZGGFL-UHFFFAOYSA-N
MW405.49 g/mol
LogP4.78
Rot. Bonds7

About N-[4-(oxan-2-ylmethoxy)phenyl]-2-(5-oxo-2-phenylcyclopenten-1-yl)acetamide

N-[4-(oxan-2-ylmethoxy)phenyl]-2-(5-oxo-2-phenylcyclopenten-1-yl)acetamide (PubChem CID 131898114) has the molecular formula C25H27NO4 and a molecular weight of 405.49 g/mol. Its IUPAC name is N-[4-(oxan-2-ylmethoxy)phenyl]-2-(5-oxo-2-phenylcyclopenten-1-yl)acetamide.

Molecular Properties

Compound NameN-[4-(oxan-2-ylmethoxy)phenyl]-2-(5-oxo-2-phenylcyclopenten-1-yl)acetamide
PubChem CID131898114
Molecular FormulaC25H27NO4
Molecular Weight405.49 g/mol
Exact Mass405.19
IUPAC NameN-[4-(oxan-2-ylmethoxy)phenyl]-2-(5-oxo-2-phenylcyclopenten-1-yl)acetamide
SMILESO=C(CC1=C(c2ccccc2)CCC1=O)Nc1ccc(OCC2CCCCO2)cc1
InChIInChI=1S/C25H27NO4/c27-24-14-13-22(18-6-2-1-3-7-18)23(24)16-25(28)26-19-9-11-20(12-10-19)30-17-21-8-4-5-15-29-21/h1-3,6-7,9-12,21H,4-5,8,13-17H2,(H,26,28)
InChIKeyYEZJEDDLVZGGFL-UHFFFAOYSA-N
XLogP4.78
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.49
LogP ≤ 54.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[4-(oxan-2-ylmethoxy)phenyl]-2-(5-oxo-2-phenylcyclopenten-1-yl)acetamide with MolForge

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

Launch Full Analysis

Related Compounds

N-[4-(oxolan-2-ylmethoxy)phenyl]-2-phenoxyacetamide
CID 4957890
N-[4-[[(2S)-oxolan-2-yl]methoxy]phenyl]-4-phenylbenzamide
CID 9294955
N-[4-[[(2S)-oxolan-2-yl]methoxy]phenyl]-3-phenylpropanamide
CID 40638862
N-[4-(oxan-2-ylmethoxy)phenyl]-2-(2-oxopyrrolidin-1-yl)acetamide
CID 131903978
1,3-bis[4-[[(2S)-oxolan-2-yl]methoxy]phenyl]urea
CID 41436663
3-amino-N-[4-(oxolan-2-ylmethoxy)phenyl]-3-phenylpropanamide
CID 119949559
N-[4-(oxolan-2-ylmethoxy)phenyl]cyclobutanecarboxamide
CID 47251152
2-[[4-(oxolan-2-ylmethoxy)phenyl]carbamoyl]benzoic acid
CID 4957872
2-naphthalen-2-yloxy-N-[4-[[(2S)-oxolan-2-yl]methoxy]phenyl]acetamide
CID 9295169
4-amino-N-[4-(oxolan-2-ylmethoxy)phenyl]butanamide
CID 119283533
2-(cyclopropylmethylamino)-N-[4-(oxolan-2-ylmethoxy)phenyl]acetamide
CID 119712735
N-[[4-(oxolan-2-ylmethoxy)phenyl]carbamothioyl]-4-phenylbenzamide
CID 4958001

Frequently Asked Questions

What is the IUPAC name of N-[4-(oxan-2-ylmethoxy)phenyl]-2-(5-oxo-2-phenylcyclopenten-1-yl)acetamide?
The IUPAC name of N-[4-(oxan-2-ylmethoxy)phenyl]-2-(5-oxo-2-phenylcyclopenten-1-yl)acetamide (CID 131898114) is N-[4-(oxan-2-ylmethoxy)phenyl]-2-(5-oxo-2-phenylcyclopenten-1-yl)acetamide.
What is the SMILES notation for N-[4-(oxan-2-ylmethoxy)phenyl]-2-(5-oxo-2-phenylcyclopenten-1-yl)acetamide?
The canonical SMILES for N-[4-(oxan-2-ylmethoxy)phenyl]-2-(5-oxo-2-phenylcyclopenten-1-yl)acetamide is O=C(CC1=C(c2ccccc2)CCC1=O)Nc1ccc(OCC2CCCCO2)cc1.
What is the InChIKey of N-[4-(oxan-2-ylmethoxy)phenyl]-2-(5-oxo-2-phenylcyclopenten-1-yl)acetamide?
The InChIKey is YEZJEDDLVZGGFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27NO4/c27-24-14-13-22(18-6-2-1-3-7-18)23(24)16-25(28)26-19-9-11-20(12-10-19)30-17-21-8-4-5-15-29-21/h1-3,6-7,9-12,21H,4-5,8,13-17H2,(H,26,28).
What are the key properties of N-[4-(oxan-2-ylmethoxy)phenyl]-2-(5-oxo-2-phenylcyclopenten-1-yl)acetamide?
N-[4-(oxan-2-ylmethoxy)phenyl]-2-(5-oxo-2-phenylcyclopenten-1-yl)acetamide has a molecular weight of 405.49 g/mol, XLogP of 4.78, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(oxan-2-ylmethoxy)phenyl]-2-(5-oxo-2-phenylcyclopenten-1-yl)acetamide is sourced from PubChem (CID 131898114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).