3-(2-methoxyethoxy)-5-(4-methylphenyl)-N-[(2-methylpyrimidin-5-yl)methyl]benzamide

C23H25N3O3 — CID 58188149

IUPAC3-(2-methoxyethoxy)-5-(4-methylphenyl)-N-[(2-methylpyrimidin-5-yl)methyl]benzamide
SMILESCOCCOc1cc(C(=O)NCc2cnc(C)nc2)cc(-c2ccc(C)cc2)c1
InChIInChI=1S/C23H25N3O3/c1-16-4-6-19(7-5-16)20-10-21(12-22(11-20)29-9-8-28-3)23(27)26-15-18-13-24-17(2)25-14-18/h4-7,10-14H,8-9,15H2,1-3H3,(H,26,27)
InChIKeyXUVCKFBKHCUGAH-UHFFFAOYSA-N
MW391.47 g/mol
LogP3.72
Rot. Bonds8

About 3-(2-methoxyethoxy)-5-(4-methylphenyl)-N-[(2-methylpyrimidin-5-yl)methyl]benzamide

3-(2-methoxyethoxy)-5-(4-methylphenyl)-N-[(2-methylpyrimidin-5-yl)methyl]benzamide (PubChem CID 58188149) has the molecular formula C23H25N3O3 and a molecular weight of 391.47 g/mol. Its IUPAC name is 3-(2-methoxyethoxy)-5-(4-methylphenyl)-N-[(2-methylpyrimidin-5-yl)methyl]benzamide.

Molecular Properties

Compound Name3-(2-methoxyethoxy)-5-(4-methylphenyl)-N-[(2-methylpyrimidin-5-yl)methyl]benzamide
PubChem CID58188149
Molecular FormulaC23H25N3O3
Molecular Weight391.47 g/mol
Exact Mass391.19
IUPAC Name3-(2-methoxyethoxy)-5-(4-methylphenyl)-N-[(2-methylpyrimidin-5-yl)methyl]benzamide
SMILESCOCCOc1cc(C(=O)NCc2cnc(C)nc2)cc(-c2ccc(C)cc2)c1
InChIInChI=1S/C23H25N3O3/c1-16-4-6-19(7-5-16)20-10-21(12-22(11-20)29-9-8-28-3)23(27)26-15-18-13-24-17(2)25-14-18/h4-7,10-14H,8-9,15H2,1-3H3,(H,26,27)
InChIKeyXUVCKFBKHCUGAH-UHFFFAOYSA-N
XLogP3.72
TPSA73.34 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.47
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

3-(2-cyano-4-methylphenyl)-5-(2-methoxyethoxy)-N-[(6-methyl-3-pyridinyl)methyl]benzamide
CID 58188268
3-(4-hydroxyoxolan-3-yl)oxy-5-(4-methylphenyl)-N-[(6-methyl-3-pyridinyl)methyl]benzamide
CID 143859768
3,5-dimethoxy-N-[(4-methylphenyl)methyl]benzamide
CID 835462
3-N,3-N-dimethyl-5-(4-methylphenyl)-1-N-[(6-methyl-3-pyridinyl)methyl]benzene-1,3-dicarboxamide
CID 58188040
3-(2-cyano-4-methylphenyl)-N-[(2-methylpyrimidin-5-yl)methyl]-5-(1,3-thiazol-2-yloxy)benzamide
CID 58188127
N-[(2-methylpyrimidin-5-yl)methyl]-3-(pyrrolidine-1-carbonyl)-5-[4-(trifluoromethyl)phenyl]benzamide
CID 58188235
2-[2-(4-methoxyphenoxy)ethylamino]-N-[(4-methylphenyl)methyl]pyrimidine-5-carboxamide
CID 109256110
1-(4-methylphenyl)sulfonyl-N-[(2-methylpyrimidin-5-yl)methyl]pyrrole-3-carboxamide
CID 146501012
2-methyl-N-[(3-methylphenyl)methyl]pyrimidine-5-carboxamide
CID 90099980
5-(4-methylphenyl)-N-(pyridin-4-ylmethyl)pyridine-3-carboxamide
CID 136514307
N-[[3-(2-methoxyethoxy)phenyl]methyl]-3-[[(4-pyridin-4-ylbenzoyl)amino]methyl]benzamide
CID 142337904
N-ethyl-3-phenyl-5-(2-phenylethoxy)benzamide
CID 71020040

Frequently Asked Questions

What is the IUPAC name of 3-(2-methoxyethoxy)-5-(4-methylphenyl)-N-[(2-methylpyrimidin-5-yl)methyl]benzamide?
The IUPAC name of 3-(2-methoxyethoxy)-5-(4-methylphenyl)-N-[(2-methylpyrimidin-5-yl)methyl]benzamide (CID 58188149) is 3-(2-methoxyethoxy)-5-(4-methylphenyl)-N-[(2-methylpyrimidin-5-yl)methyl]benzamide.
What is the SMILES notation for 3-(2-methoxyethoxy)-5-(4-methylphenyl)-N-[(2-methylpyrimidin-5-yl)methyl]benzamide?
The canonical SMILES for 3-(2-methoxyethoxy)-5-(4-methylphenyl)-N-[(2-methylpyrimidin-5-yl)methyl]benzamide is COCCOc1cc(C(=O)NCc2cnc(C)nc2)cc(-c2ccc(C)cc2)c1.
What is the InChIKey of 3-(2-methoxyethoxy)-5-(4-methylphenyl)-N-[(2-methylpyrimidin-5-yl)methyl]benzamide?
The InChIKey is XUVCKFBKHCUGAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N3O3/c1-16-4-6-19(7-5-16)20-10-21(12-22(11-20)29-9-8-28-3)23(27)26-15-18-13-24-17(2)25-14-18/h4-7,10-14H,8-9,15H2,1-3H3,(H,26,27).
What are the key properties of 3-(2-methoxyethoxy)-5-(4-methylphenyl)-N-[(2-methylpyrimidin-5-yl)methyl]benzamide?
3-(2-methoxyethoxy)-5-(4-methylphenyl)-N-[(2-methylpyrimidin-5-yl)methyl]benzamide has a molecular weight of 391.47 g/mol, XLogP of 3.72, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methoxyethoxy)-5-(4-methylphenyl)-N-[(2-methylpyrimidin-5-yl)methyl]benzamide is sourced from PubChem (CID 58188149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).