4-cyano-N-[4-[3-(hydroxymethyl)-4-[(4-methoxyphenyl)methyl]-5-oxomorpholin-2-yl]phenyl]benzamide

C27H25N3O5 — CID 78150554

IUPAC4-cyano-N-[4-[3-(hydroxymethyl)-4-[(4-methoxyphenyl)methyl]-5-oxomorpholin-2-yl]phenyl]benzamide
SMILESCOc1ccc(CN2C(=O)COC(c3ccc(NC(=O)c4ccc(C#N)cc4)cc3)C2CO)cc1
InChIInChI=1S/C27H25N3O5/c1-34-23-12-4-19(5-13-23)15-30-24(16-31)26(35-17-25(30)32)20-8-10-22(11-9-20)29-27(33)21-6-2-18(14-28)3-7-21/h2-13,24,26,31H,15-17H2,1H3,(H,29,33)
InChIKeyCQTWJVLIOPEVFH-UHFFFAOYSA-N
MW471.51 g/mol
LogP3.28
Rot. Bonds7

About 4-cyano-N-[4-[3-(hydroxymethyl)-4-[(4-methoxyphenyl)methyl]-5-oxomorpholin-2-yl]phenyl]benzamide

4-cyano-N-[4-[3-(hydroxymethyl)-4-[(4-methoxyphenyl)methyl]-5-oxomorpholin-2-yl]phenyl]benzamide (PubChem CID 78150554) has the molecular formula C27H25N3O5 and a molecular weight of 471.51 g/mol. Its IUPAC name is 4-cyano-N-[4-[3-(hydroxymethyl)-4-[(4-methoxyphenyl)methyl]-5-oxomorpholin-2-yl]phenyl]benzamide.

Molecular Properties

Compound Name4-cyano-N-[4-[3-(hydroxymethyl)-4-[(4-methoxyphenyl)methyl]-5-oxomorpholin-2-yl]phenyl]benzamide
PubChem CID78150554
Molecular FormulaC27H25N3O5
Molecular Weight471.51 g/mol
Exact Mass471.18
IUPAC Name4-cyano-N-[4-[3-(hydroxymethyl)-4-[(4-methoxyphenyl)methyl]-5-oxomorpholin-2-yl]phenyl]benzamide
SMILESCOc1ccc(CN2C(=O)COC(c3ccc(NC(=O)c4ccc(C#N)cc4)cc3)C2CO)cc1
InChIInChI=1S/C27H25N3O5/c1-34-23-12-4-19(5-13-23)15-30-24(16-31)26(35-17-25(30)32)20-8-10-22(11-9-20)29-27(33)21-6-2-18(14-28)3-7-21/h2-13,24,26,31H,15-17H2,1H3,(H,29,33)
InChIKeyCQTWJVLIOPEVFH-UHFFFAOYSA-N
XLogP3.28
TPSA111.89 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500471.51
LogP ≤ 53.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 4-cyano-N-[4-[3-(hydroxymethyl)-4-[(4-methoxyphenyl)methyl]-5-oxomorpholin-2-yl]phenyl]benzamide 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-[3-(hydroxymethyl)-4-[(4-methoxyphenyl)methyl]-5-oxomorpholin-2-yl]phenyl]pyridine-3-carboxamide
CID 78150574
N-[4-[3-(hydroxymethyl)-4-[(4-methoxyphenyl)methyl]-5-oxomorpholin-2-yl]phenyl]-2-phenoxyacetamide
CID 78150565
1-tert-butyl-3-[4-[3-(hydroxymethyl)-4-[(4-methoxyphenyl)methyl]-5-oxomorpholin-2-yl]phenyl]urea
CID 78150552
1-benzyl-3-[4-[(2R,3R)-3-(hydroxymethyl)-4-[(4-methoxyphenyl)methyl]-5-oxomorpholin-2-yl]phenyl]urea
CID 71693505
N-[4-[(2R,3R)-3-(hydroxymethyl)-4-[(4-methoxyphenyl)methyl]-5-oxomorpholin-2-yl]phenyl]-1,5-dimethylpyrazole-3-carboxamide
CID 71693534
N-[4-[3-(hydroxymethyl)-4-[(4-methoxyphenyl)methyl]-5-oxomorpholin-2-yl]phenyl]-2-thiophen-2-ylacetamide
CID 78150569
N-[4-[4-benzyl-3-(hydroxymethyl)-5-oxomorpholin-2-yl]phenyl]-3,5-difluorobenzamide
CID 78150337
N-[4-[4-benzyl-3-(hydroxymethyl)-5-oxomorpholin-2-yl]phenyl]-2-methylbenzamide
CID 78150332
1-N-(4-cyanophenyl)-4-N-(4-methoxyphenyl)benzene-1,4-dicarboxamide
CID 109050095
3-cyano-N-[4-[3-(hydroxymethyl)-4-[(4-methyl-1,3-thiazol-5-yl)methyl]-5-oxomorpholin-2-yl]phenyl]benzamide
CID 78150445
4-cyano-N-[4-[(2R,3R)-3-(hydroxymethyl)-5-oxomorpholin-2-yl]phenyl]benzamide
CID 71693238
3,5-difluoro-N-[4-[(2R,3R)-3-(hydroxymethyl)-5-oxo-4-(pyridin-4-ylmethyl)morpholin-2-yl]phenyl]benzamide
CID 71693463

Frequently Asked Questions

What is the IUPAC name of 4-cyano-N-[4-[3-(hydroxymethyl)-4-[(4-methoxyphenyl)methyl]-5-oxomorpholin-2-yl]phenyl]benzamide?
The IUPAC name of 4-cyano-N-[4-[3-(hydroxymethyl)-4-[(4-methoxyphenyl)methyl]-5-oxomorpholin-2-yl]phenyl]benzamide (CID 78150554) is 4-cyano-N-[4-[3-(hydroxymethyl)-4-[(4-methoxyphenyl)methyl]-5-oxomorpholin-2-yl]phenyl]benzamide.
What is the SMILES notation for 4-cyano-N-[4-[3-(hydroxymethyl)-4-[(4-methoxyphenyl)methyl]-5-oxomorpholin-2-yl]phenyl]benzamide?
The canonical SMILES for 4-cyano-N-[4-[3-(hydroxymethyl)-4-[(4-methoxyphenyl)methyl]-5-oxomorpholin-2-yl]phenyl]benzamide is COc1ccc(CN2C(=O)COC(c3ccc(NC(=O)c4ccc(C#N)cc4)cc3)C2CO)cc1.
What is the InChIKey of 4-cyano-N-[4-[3-(hydroxymethyl)-4-[(4-methoxyphenyl)methyl]-5-oxomorpholin-2-yl]phenyl]benzamide?
The InChIKey is CQTWJVLIOPEVFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H25N3O5/c1-34-23-12-4-19(5-13-23)15-30-24(16-31)26(35-17-25(30)32)20-8-10-22(11-9-20)29-27(33)21-6-2-18(14-28)3-7-21/h2-13,24,26,31H,15-17H2,1H3,(H,29,33).
What are the key properties of 4-cyano-N-[4-[3-(hydroxymethyl)-4-[(4-methoxyphenyl)methyl]-5-oxomorpholin-2-yl]phenyl]benzamide?
4-cyano-N-[4-[3-(hydroxymethyl)-4-[(4-methoxyphenyl)methyl]-5-oxomorpholin-2-yl]phenyl]benzamide has a molecular weight of 471.51 g/mol, XLogP of 3.28, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyano-N-[4-[3-(hydroxymethyl)-4-[(4-methoxyphenyl)methyl]-5-oxomorpholin-2-yl]phenyl]benzamide is sourced from PubChem (CID 78150554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).