3-hydroxy-2-(3-hydroxyphenyl)-4-methoxy-N-[4-(3-morpholin-4-ylpropoxy)phenyl]benzamide

C27H30N2O6 — CID 118727108

IUPAC3-hydroxy-2-(3-hydroxyphenyl)-4-methoxy-N-[4-(3-morpholin-4-ylpropoxy)phenyl]benzamide
SMILESCOc1ccc(C(=O)Nc2ccc(OCCCN3CCOCC3)cc2)c(-c2cccc(O)c2)c1O
InChIInChI=1S/C27H30N2O6/c1-33-24-11-10-23(25(26(24)31)19-4-2-5-21(30)18-19)27(32)28-20-6-8-22(9-7-20)35-15-3-12-29-13-16-34-17-14-29/h2,4-11,18,30-31H,3,12-17H2,1H3,(H,28,32)
InChIKeyFTBBDZSGBKMOKE-UHFFFAOYSA-N
MW478.55 g/mol
LogP4.13
Rot. Bonds9

About 3-hydroxy-2-(3-hydroxyphenyl)-4-methoxy-N-[4-(3-morpholin-4-ylpropoxy)phenyl]benzamide

3-hydroxy-2-(3-hydroxyphenyl)-4-methoxy-N-[4-(3-morpholin-4-ylpropoxy)phenyl]benzamide (PubChem CID 118727108) has the molecular formula C27H30N2O6 and a molecular weight of 478.55 g/mol. Its IUPAC name is 3-hydroxy-2-(3-hydroxyphenyl)-4-methoxy-N-[4-(3-morpholin-4-ylpropoxy)phenyl]benzamide.

Molecular Properties

Compound Name3-hydroxy-2-(3-hydroxyphenyl)-4-methoxy-N-[4-(3-morpholin-4-ylpropoxy)phenyl]benzamide
PubChem CID118727108
Molecular FormulaC27H30N2O6
Molecular Weight478.55 g/mol
Exact Mass478.21
IUPAC Name3-hydroxy-2-(3-hydroxyphenyl)-4-methoxy-N-[4-(3-morpholin-4-ylpropoxy)phenyl]benzamide
SMILESCOc1ccc(C(=O)Nc2ccc(OCCCN3CCOCC3)cc2)c(-c2cccc(O)c2)c1O
InChIInChI=1S/C27H30N2O6/c1-33-24-11-10-23(25(26(24)31)19-4-2-5-21(30)18-19)27(32)28-20-6-8-22(9-7-20)35-15-3-12-29-13-16-34-17-14-29/h2,4-11,18,30-31H,3,12-17H2,1H3,(H,28,32)
InChIKeyFTBBDZSGBKMOKE-UHFFFAOYSA-N
XLogP4.13
TPSA100.49 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500478.55
LogP ≤ 54.13
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-2-(3-hydroxyphenyl)-4-methoxy-N-[4-(3-morpholin-4-ylpropoxy)phenyl]benzamide?
The IUPAC name of 3-hydroxy-2-(3-hydroxyphenyl)-4-methoxy-N-[4-(3-morpholin-4-ylpropoxy)phenyl]benzamide (CID 118727108) is 3-hydroxy-2-(3-hydroxyphenyl)-4-methoxy-N-[4-(3-morpholin-4-ylpropoxy)phenyl]benzamide.
What is the SMILES notation for 3-hydroxy-2-(3-hydroxyphenyl)-4-methoxy-N-[4-(3-morpholin-4-ylpropoxy)phenyl]benzamide?
The canonical SMILES for 3-hydroxy-2-(3-hydroxyphenyl)-4-methoxy-N-[4-(3-morpholin-4-ylpropoxy)phenyl]benzamide is COc1ccc(C(=O)Nc2ccc(OCCCN3CCOCC3)cc2)c(-c2cccc(O)c2)c1O.
What is the InChIKey of 3-hydroxy-2-(3-hydroxyphenyl)-4-methoxy-N-[4-(3-morpholin-4-ylpropoxy)phenyl]benzamide?
The InChIKey is FTBBDZSGBKMOKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H30N2O6/c1-33-24-11-10-23(25(26(24)31)19-4-2-5-21(30)18-19)27(32)28-20-6-8-22(9-7-20)35-15-3-12-29-13-16-34-17-14-29/h2,4-11,18,30-31H,3,12-17H2,1H3,(H,28,32).
What are the key properties of 3-hydroxy-2-(3-hydroxyphenyl)-4-methoxy-N-[4-(3-morpholin-4-ylpropoxy)phenyl]benzamide?
3-hydroxy-2-(3-hydroxyphenyl)-4-methoxy-N-[4-(3-morpholin-4-ylpropoxy)phenyl]benzamide has a molecular weight of 478.55 g/mol, XLogP of 4.13, 9 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-2-(3-hydroxyphenyl)-4-methoxy-N-[4-(3-morpholin-4-ylpropoxy)phenyl]benzamide is sourced from PubChem (CID 118727108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).