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

C28H33N3O4 — CID 58188315

IUPAC3-[1-hydroxy-2-[3-(hydroxymethyl)morpholin-4-yl]ethyl]-5-(4-methylphenyl)-N-[(6-methyl-3-pyridinyl)methyl]benzamide
SMILESCc1ccc(-c2cc(C(=O)NCc3ccc(C)nc3)cc(C(O)CN3CCOCC3CO)c2)cc1
InChIInChI=1S/C28H33N3O4/c1-19-3-7-22(8-4-19)23-11-24(27(33)16-31-9-10-35-18-26(31)17-32)13-25(12-23)28(34)30-15-21-6-5-20(2)29-14-21/h3-8,11-14,26-27,32-33H,9-10,15-18H2,1-2H3,(H,30,34)
InChIKeyDCRWGKXPFFHOSK-UHFFFAOYSA-N
MW475.59 g/mol
LogP3.02
Rot. Bonds8

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

3-[1-hydroxy-2-[3-(hydroxymethyl)morpholin-4-yl]ethyl]-5-(4-methylphenyl)-N-[(6-methyl-3-pyridinyl)methyl]benzamide (PubChem CID 58188315) has the molecular formula C28H33N3O4 and a molecular weight of 475.59 g/mol. Its IUPAC name is 3-[1-hydroxy-2-[3-(hydroxymethyl)morpholin-4-yl]ethyl]-5-(4-methylphenyl)-N-[(6-methyl-3-pyridinyl)methyl]benzamide.

Molecular Properties

Compound Name3-[1-hydroxy-2-[3-(hydroxymethyl)morpholin-4-yl]ethyl]-5-(4-methylphenyl)-N-[(6-methyl-3-pyridinyl)methyl]benzamide
PubChem CID58188315
Molecular FormulaC28H33N3O4
Molecular Weight475.59 g/mol
Exact Mass475.25
IUPAC Name3-[1-hydroxy-2-[3-(hydroxymethyl)morpholin-4-yl]ethyl]-5-(4-methylphenyl)-N-[(6-methyl-3-pyridinyl)methyl]benzamide
SMILESCc1ccc(-c2cc(C(=O)NCc3ccc(C)nc3)cc(C(O)CN3CCOCC3CO)c2)cc1
InChIInChI=1S/C28H33N3O4/c1-19-3-7-22(8-4-19)23-11-24(27(33)16-31-9-10-35-18-26(31)17-32)13-25(12-23)28(34)30-15-21-6-5-20(2)29-14-21/h3-8,11-14,26-27,32-33H,9-10,15-18H2,1-2H3,(H,30,34)
InChIKeyDCRWGKXPFFHOSK-UHFFFAOYSA-N
XLogP3.02
TPSA94.92 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500475.59
LogP ≤ 53.02
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze 3-[1-hydroxy-2-[3-(hydroxymethyl)morpholin-4-yl]ethyl]-5-(4-methylphenyl)-N-[(6-methyl-3-pyridinyl)methyl]benzamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-[1-hydroxy-2-[3-(hydroxymethyl)morpholin-4-yl]ethyl]-5-(4-methylphenyl)-N-[(6-methyl-3-pyridinyl)methyl]benzamide?
The IUPAC name of 3-[1-hydroxy-2-[3-(hydroxymethyl)morpholin-4-yl]ethyl]-5-(4-methylphenyl)-N-[(6-methyl-3-pyridinyl)methyl]benzamide (CID 58188315) is 3-[1-hydroxy-2-[3-(hydroxymethyl)morpholin-4-yl]ethyl]-5-(4-methylphenyl)-N-[(6-methyl-3-pyridinyl)methyl]benzamide.
What is the SMILES notation for 3-[1-hydroxy-2-[3-(hydroxymethyl)morpholin-4-yl]ethyl]-5-(4-methylphenyl)-N-[(6-methyl-3-pyridinyl)methyl]benzamide?
The canonical SMILES for 3-[1-hydroxy-2-[3-(hydroxymethyl)morpholin-4-yl]ethyl]-5-(4-methylphenyl)-N-[(6-methyl-3-pyridinyl)methyl]benzamide is Cc1ccc(-c2cc(C(=O)NCc3ccc(C)nc3)cc(C(O)CN3CCOCC3CO)c2)cc1.
What is the InChIKey of 3-[1-hydroxy-2-[3-(hydroxymethyl)morpholin-4-yl]ethyl]-5-(4-methylphenyl)-N-[(6-methyl-3-pyridinyl)methyl]benzamide?
The InChIKey is DCRWGKXPFFHOSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H33N3O4/c1-19-3-7-22(8-4-19)23-11-24(27(33)16-31-9-10-35-18-26(31)17-32)13-25(12-23)28(34)30-15-21-6-5-20(2)29-14-21/h3-8,11-14,26-27,32-33H,9-10,15-18H2,1-2H3,(H,30,34).
What are the key properties of 3-[1-hydroxy-2-[3-(hydroxymethyl)morpholin-4-yl]ethyl]-5-(4-methylphenyl)-N-[(6-methyl-3-pyridinyl)methyl]benzamide?
3-[1-hydroxy-2-[3-(hydroxymethyl)morpholin-4-yl]ethyl]-5-(4-methylphenyl)-N-[(6-methyl-3-pyridinyl)methyl]benzamide has a molecular weight of 475.59 g/mol, XLogP of 3.02, 8 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-hydroxy-2-[3-(hydroxymethyl)morpholin-4-yl]ethyl]-5-(4-methylphenyl)-N-[(6-methyl-3-pyridinyl)methyl]benzamide is sourced from PubChem (CID 58188315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).