3-(1-hydroxy-2-morpholin-4-ylethyl)-5-(4-methylphenyl)-N-[(6-methyl-3-pyridinyl)methyl]benzamide

C27H31N3O3 — CID 58188316

IUPAC3-(1-hydroxy-2-morpholin-4-ylethyl)-5-(4-methylphenyl)-N-[(6-methyl-3-pyridinyl)methyl]benzamide
SMILESCc1ccc(-c2cc(C(=O)NCc3ccc(C)nc3)cc(C(O)CN3CCOCC3)c2)cc1
InChIInChI=1S/C27H31N3O3/c1-19-3-7-22(8-4-19)23-13-24(26(31)18-30-9-11-33-12-10-30)15-25(14-23)27(32)29-17-21-6-5-20(2)28-16-21/h3-8,13-16,26,31H,9-12,17-18H2,1-2H3,(H,29,32)
InChIKeyMHEWVNGVDZVUHK-UHFFFAOYSA-N
MW445.56 g/mol
LogP3.66
Rot. Bonds7

About 3-(1-hydroxy-2-morpholin-4-ylethyl)-5-(4-methylphenyl)-N-[(6-methyl-3-pyridinyl)methyl]benzamide

3-(1-hydroxy-2-morpholin-4-ylethyl)-5-(4-methylphenyl)-N-[(6-methyl-3-pyridinyl)methyl]benzamide (PubChem CID 58188316) has the molecular formula C27H31N3O3 and a molecular weight of 445.56 g/mol. Its IUPAC name is 3-(1-hydroxy-2-morpholin-4-ylethyl)-5-(4-methylphenyl)-N-[(6-methyl-3-pyridinyl)methyl]benzamide.

Molecular Properties

Compound Name3-(1-hydroxy-2-morpholin-4-ylethyl)-5-(4-methylphenyl)-N-[(6-methyl-3-pyridinyl)methyl]benzamide
PubChem CID58188316
Molecular FormulaC27H31N3O3
Molecular Weight445.56 g/mol
Exact Mass445.24
IUPAC Name3-(1-hydroxy-2-morpholin-4-ylethyl)-5-(4-methylphenyl)-N-[(6-methyl-3-pyridinyl)methyl]benzamide
SMILESCc1ccc(-c2cc(C(=O)NCc3ccc(C)nc3)cc(C(O)CN3CCOCC3)c2)cc1
InChIInChI=1S/C27H31N3O3/c1-19-3-7-22(8-4-19)23-13-24(26(31)18-30-9-11-33-12-10-30)15-25(14-23)27(32)29-17-21-6-5-20(2)28-16-21/h3-8,13-16,26,31H,9-12,17-18H2,1-2H3,(H,29,32)
InChIKeyMHEWVNGVDZVUHK-UHFFFAOYSA-N
XLogP3.66
TPSA74.69 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500445.56
LogP ≤ 53.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-(1-hydroxy-2-morpholin-4-ylethyl)-5-(4-methylphenyl)-N-[(6-methyl-3-pyridinyl)methyl]benzamide?
The IUPAC name of 3-(1-hydroxy-2-morpholin-4-ylethyl)-5-(4-methylphenyl)-N-[(6-methyl-3-pyridinyl)methyl]benzamide (CID 58188316) is 3-(1-hydroxy-2-morpholin-4-ylethyl)-5-(4-methylphenyl)-N-[(6-methyl-3-pyridinyl)methyl]benzamide.
What is the SMILES notation for 3-(1-hydroxy-2-morpholin-4-ylethyl)-5-(4-methylphenyl)-N-[(6-methyl-3-pyridinyl)methyl]benzamide?
The canonical SMILES for 3-(1-hydroxy-2-morpholin-4-ylethyl)-5-(4-methylphenyl)-N-[(6-methyl-3-pyridinyl)methyl]benzamide is Cc1ccc(-c2cc(C(=O)NCc3ccc(C)nc3)cc(C(O)CN3CCOCC3)c2)cc1.
What is the InChIKey of 3-(1-hydroxy-2-morpholin-4-ylethyl)-5-(4-methylphenyl)-N-[(6-methyl-3-pyridinyl)methyl]benzamide?
The InChIKey is MHEWVNGVDZVUHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H31N3O3/c1-19-3-7-22(8-4-19)23-13-24(26(31)18-30-9-11-33-12-10-30)15-25(14-23)27(32)29-17-21-6-5-20(2)28-16-21/h3-8,13-16,26,31H,9-12,17-18H2,1-2H3,(H,29,32).
What are the key properties of 3-(1-hydroxy-2-morpholin-4-ylethyl)-5-(4-methylphenyl)-N-[(6-methyl-3-pyridinyl)methyl]benzamide?
3-(1-hydroxy-2-morpholin-4-ylethyl)-5-(4-methylphenyl)-N-[(6-methyl-3-pyridinyl)methyl]benzamide has a molecular weight of 445.56 g/mol, XLogP of 3.66, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-hydroxy-2-morpholin-4-ylethyl)-5-(4-methylphenyl)-N-[(6-methyl-3-pyridinyl)methyl]benzamide is sourced from PubChem (CID 58188316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).