3-[4-(3-methoxyphenoxy)pyrimidin-2-yl]-N-(oxolan-2-ylmethyl)benzamide

C23H23N3O4 — CID 46386589

IUPAC3-[4-(3-methoxyphenoxy)pyrimidin-2-yl]-N-(oxolan-2-ylmethyl)benzamide
SMILESCOc1cccc(Oc2ccnc(-c3cccc(C(=O)NCC4CCCO4)c3)n2)c1
InChIInChI=1S/C23H23N3O4/c1-28-18-7-3-8-19(14-18)30-21-10-11-24-22(26-21)16-5-2-6-17(13-16)23(27)25-15-20-9-4-12-29-20/h2-3,5-8,10-11,13-14,20H,4,9,12,15H2,1H3,(H,25,27)
InChIKeyJMPFVGKBWAXLKG-UHFFFAOYSA-N
MW405.45 g/mol
LogP3.85
Rot. Bonds7

About 3-[4-(3-methoxyphenoxy)pyrimidin-2-yl]-N-(oxolan-2-ylmethyl)benzamide

3-[4-(3-methoxyphenoxy)pyrimidin-2-yl]-N-(oxolan-2-ylmethyl)benzamide (PubChem CID 46386589) has the molecular formula C23H23N3O4 and a molecular weight of 405.45 g/mol. Its IUPAC name is 3-[4-(3-methoxyphenoxy)pyrimidin-2-yl]-N-(oxolan-2-ylmethyl)benzamide.

Molecular Properties

Compound Name3-[4-(3-methoxyphenoxy)pyrimidin-2-yl]-N-(oxolan-2-ylmethyl)benzamide
PubChem CID46386589
Molecular FormulaC23H23N3O4
Molecular Weight405.45 g/mol
Exact Mass405.17
IUPAC Name3-[4-(3-methoxyphenoxy)pyrimidin-2-yl]-N-(oxolan-2-ylmethyl)benzamide
SMILESCOc1cccc(Oc2ccnc(-c3cccc(C(=O)NCC4CCCO4)c3)n2)c1
InChIInChI=1S/C23H23N3O4/c1-28-18-7-3-8-19(14-18)30-21-10-11-24-22(26-21)16-5-2-6-17(13-16)23(27)25-15-20-9-4-12-29-20/h2-3,5-8,10-11,13-14,20H,4,9,12,15H2,1H3,(H,25,27)
InChIKeyJMPFVGKBWAXLKG-UHFFFAOYSA-N
XLogP3.85
TPSA82.57 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.45
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 3-[4-(3-methoxyphenoxy)pyrimidin-2-yl]-N-(oxolan-2-ylmethyl)benzamide with MolForge

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

Launch Full Analysis

Related Compounds

3-methoxy-N-[[(2S)-oxolan-2-yl]methyl]benzamide
CID 669434
3-(6-methoxy-3-pyridinyl)-N-[[(2S)-oxolan-2-yl]methyl]benzamide
CID 126446000
N-[[(2S)-oxolan-2-yl]methyl]-3-(6-phenoxypyrimidin-4-yl)benzamide
CID 95053292
N-(oxolan-2-ylmethyl)-3-(6-phenylpyrimidin-4-yl)oxybenzamide
CID 53011541
3-methoxy-N-[4-[[(2S)-oxolan-2-yl]methylcarbamoyl]phenyl]benzamide
CID 1217033
2-(3-methoxyphenyl)-N-[[(2R)-oxan-2-yl]methyl]-1,3-benzoxazole-6-carboxamide
CID 42512111
3-[6-(2-methoxyphenoxy)pyridazin-3-yl]-N-[[(2R)-oxolan-2-yl]methyl]benzamide
CID 92882471
2-(3-methoxyphenyl)-6,8-dimethyl-N-[[(2R)-oxolan-2-yl]methyl]quinoline-4-carboxamide
CID 1313899
4-N-[2-(4-methoxyphenoxy)ethyl]-2-N-(oxolan-2-ylmethyl)pyridine-2,4-dicarboxamide
CID 109083297
2-[2-(3-methoxyphenyl)-4-methyl-1,3-thiazol-5-yl]-N-(oxolan-2-ylmethyl)acetamide
CID 110329457
N-(oxolan-2-ylmethyl)-3-(1H-pyrazol-4-yl)benzamide
CID 110486700
2-(3-methoxyphenoxy)-N-(oxolan-2-ylmethyl)propanamide
CID 19203851

Frequently Asked Questions

What is the IUPAC name of 3-[4-(3-methoxyphenoxy)pyrimidin-2-yl]-N-(oxolan-2-ylmethyl)benzamide?
The IUPAC name of 3-[4-(3-methoxyphenoxy)pyrimidin-2-yl]-N-(oxolan-2-ylmethyl)benzamide (CID 46386589) is 3-[4-(3-methoxyphenoxy)pyrimidin-2-yl]-N-(oxolan-2-ylmethyl)benzamide.
What is the SMILES notation for 3-[4-(3-methoxyphenoxy)pyrimidin-2-yl]-N-(oxolan-2-ylmethyl)benzamide?
The canonical SMILES for 3-[4-(3-methoxyphenoxy)pyrimidin-2-yl]-N-(oxolan-2-ylmethyl)benzamide is COc1cccc(Oc2ccnc(-c3cccc(C(=O)NCC4CCCO4)c3)n2)c1.
What is the InChIKey of 3-[4-(3-methoxyphenoxy)pyrimidin-2-yl]-N-(oxolan-2-ylmethyl)benzamide?
The InChIKey is JMPFVGKBWAXLKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23N3O4/c1-28-18-7-3-8-19(14-18)30-21-10-11-24-22(26-21)16-5-2-6-17(13-16)23(27)25-15-20-9-4-12-29-20/h2-3,5-8,10-11,13-14,20H,4,9,12,15H2,1H3,(H,25,27).
What are the key properties of 3-[4-(3-methoxyphenoxy)pyrimidin-2-yl]-N-(oxolan-2-ylmethyl)benzamide?
3-[4-(3-methoxyphenoxy)pyrimidin-2-yl]-N-(oxolan-2-ylmethyl)benzamide has a molecular weight of 405.45 g/mol, XLogP of 3.85, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(3-methoxyphenoxy)pyrimidin-2-yl]-N-(oxolan-2-ylmethyl)benzamide is sourced from PubChem (CID 46386589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).