3-[2-(2,6-dimethylmorpholin-4-yl)-1-hydroxyethyl]-5-(4-methylphenyl)-N-[(6-methyl-3-pyridinyl)methyl]benzamide

C29H35N3O3 — CID 58188303

IUPAC3-[2-(2,6-dimethylmorpholin-4-yl)-1-hydroxyethyl]-5-(4-methylphenyl)-N-[(6-methyl-3-pyridinyl)methyl]benzamide
SMILESCc1ccc(-c2cc(C(=O)NCc3ccc(C)nc3)cc(C(O)CN3CC(C)OC(C)C3)c2)cc1
InChIInChI=1S/C29H35N3O3/c1-19-5-9-24(10-6-19)25-11-26(28(33)18-32-16-21(3)35-22(4)17-32)13-27(12-25)29(34)31-15-23-8-7-20(2)30-14-23/h5-14,21-22,28,33H,15-18H2,1-4H3,(H,31,34)
InChIKeyWMOPLQOBHSBRAQ-UHFFFAOYSA-N
MW473.62 g/mol
LogP4.44
Rot. Bonds7

About 3-[2-(2,6-dimethylmorpholin-4-yl)-1-hydroxyethyl]-5-(4-methylphenyl)-N-[(6-methyl-3-pyridinyl)methyl]benzamide

3-[2-(2,6-dimethylmorpholin-4-yl)-1-hydroxyethyl]-5-(4-methylphenyl)-N-[(6-methyl-3-pyridinyl)methyl]benzamide (PubChem CID 58188303) has the molecular formula C29H35N3O3 and a molecular weight of 473.62 g/mol. Its IUPAC name is 3-[2-(2,6-dimethylmorpholin-4-yl)-1-hydroxyethyl]-5-(4-methylphenyl)-N-[(6-methyl-3-pyridinyl)methyl]benzamide.

Molecular Properties

Compound Name3-[2-(2,6-dimethylmorpholin-4-yl)-1-hydroxyethyl]-5-(4-methylphenyl)-N-[(6-methyl-3-pyridinyl)methyl]benzamide
PubChem CID58188303
Molecular FormulaC29H35N3O3
Molecular Weight473.62 g/mol
Exact Mass473.27
IUPAC Name3-[2-(2,6-dimethylmorpholin-4-yl)-1-hydroxyethyl]-5-(4-methylphenyl)-N-[(6-methyl-3-pyridinyl)methyl]benzamide
SMILESCc1ccc(-c2cc(C(=O)NCc3ccc(C)nc3)cc(C(O)CN3CC(C)OC(C)C3)c2)cc1
InChIInChI=1S/C29H35N3O3/c1-19-5-9-24(10-6-19)25-11-26(28(33)18-32-16-21(3)35-22(4)17-32)13-27(12-25)29(34)31-15-23-8-7-20(2)30-14-23/h5-14,21-22,28,33H,15-18H2,1-4H3,(H,31,34)
InChIKeyWMOPLQOBHSBRAQ-UHFFFAOYSA-N
XLogP4.44
TPSA74.69 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500473.62
LogP ≤ 54.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[2-(2,6-dimethylmorpholin-4-yl)-1-hydroxyethyl]-5-(4-methylphenyl)-N-[(6-methyl-3-pyridinyl)methyl]benzamide?
The IUPAC name of 3-[2-(2,6-dimethylmorpholin-4-yl)-1-hydroxyethyl]-5-(4-methylphenyl)-N-[(6-methyl-3-pyridinyl)methyl]benzamide (CID 58188303) is 3-[2-(2,6-dimethylmorpholin-4-yl)-1-hydroxyethyl]-5-(4-methylphenyl)-N-[(6-methyl-3-pyridinyl)methyl]benzamide.
What is the SMILES notation for 3-[2-(2,6-dimethylmorpholin-4-yl)-1-hydroxyethyl]-5-(4-methylphenyl)-N-[(6-methyl-3-pyridinyl)methyl]benzamide?
The canonical SMILES for 3-[2-(2,6-dimethylmorpholin-4-yl)-1-hydroxyethyl]-5-(4-methylphenyl)-N-[(6-methyl-3-pyridinyl)methyl]benzamide is Cc1ccc(-c2cc(C(=O)NCc3ccc(C)nc3)cc(C(O)CN3CC(C)OC(C)C3)c2)cc1.
What is the InChIKey of 3-[2-(2,6-dimethylmorpholin-4-yl)-1-hydroxyethyl]-5-(4-methylphenyl)-N-[(6-methyl-3-pyridinyl)methyl]benzamide?
The InChIKey is WMOPLQOBHSBRAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H35N3O3/c1-19-5-9-24(10-6-19)25-11-26(28(33)18-32-16-21(3)35-22(4)17-32)13-27(12-25)29(34)31-15-23-8-7-20(2)30-14-23/h5-14,21-22,28,33H,15-18H2,1-4H3,(H,31,34).
What are the key properties of 3-[2-(2,6-dimethylmorpholin-4-yl)-1-hydroxyethyl]-5-(4-methylphenyl)-N-[(6-methyl-3-pyridinyl)methyl]benzamide?
3-[2-(2,6-dimethylmorpholin-4-yl)-1-hydroxyethyl]-5-(4-methylphenyl)-N-[(6-methyl-3-pyridinyl)methyl]benzamide has a molecular weight of 473.62 g/mol, XLogP of 4.44, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(2,6-dimethylmorpholin-4-yl)-1-hydroxyethyl]-5-(4-methylphenyl)-N-[(6-methyl-3-pyridinyl)methyl]benzamide is sourced from PubChem (CID 58188303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).