N-[(2,4-dimethoxyphenyl)methyl]-3-[2-(3-methoxyphenoxy)pyrimidin-5-yl]benzamide

C27H25N3O5 — CID 53116904

IUPACN-[(2,4-dimethoxyphenyl)methyl]-3-[2-(3-methoxyphenoxy)pyrimidin-5-yl]benzamide
SMILESCOc1cccc(Oc2ncc(-c3cccc(C(=O)NCc4ccc(OC)cc4OC)c3)cn2)c1
InChIInChI=1S/C27H25N3O5/c1-32-22-8-5-9-24(13-22)35-27-29-16-21(17-30-27)18-6-4-7-19(12-18)26(31)28-15-20-10-11-23(33-2)14-25(20)34-3/h4-14,16-17H,15H2,1-3H3,(H,28,31)
InChIKeyFXOJEVQAXVUPIF-UHFFFAOYSA-N
MW471.51 g/mol
LogP4.89
Rot. Bonds9

About N-[(2,4-dimethoxyphenyl)methyl]-3-[2-(3-methoxyphenoxy)pyrimidin-5-yl]benzamide

N-[(2,4-dimethoxyphenyl)methyl]-3-[2-(3-methoxyphenoxy)pyrimidin-5-yl]benzamide (PubChem CID 53116904) has the molecular formula C27H25N3O5 and a molecular weight of 471.51 g/mol. Its IUPAC name is N-[(2,4-dimethoxyphenyl)methyl]-3-[2-(3-methoxyphenoxy)pyrimidin-5-yl]benzamide.

Molecular Properties

Compound NameN-[(2,4-dimethoxyphenyl)methyl]-3-[2-(3-methoxyphenoxy)pyrimidin-5-yl]benzamide
PubChem CID53116904
Molecular FormulaC27H25N3O5
Molecular Weight471.51 g/mol
Exact Mass471.18
IUPAC NameN-[(2,4-dimethoxyphenyl)methyl]-3-[2-(3-methoxyphenoxy)pyrimidin-5-yl]benzamide
SMILESCOc1cccc(Oc2ncc(-c3cccc(C(=O)NCc4ccc(OC)cc4OC)c3)cn2)c1
InChIInChI=1S/C27H25N3O5/c1-32-22-8-5-9-24(13-22)35-27-29-16-21(17-30-27)18-6-4-7-19(12-18)26(31)28-15-20-10-11-23(33-2)14-25(20)34-3/h4-14,16-17H,15H2,1-3H3,(H,28,31)
InChIKeyFXOJEVQAXVUPIF-UHFFFAOYSA-N
XLogP4.89
TPSA91.80 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500471.51
LogP ≤ 54.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-benzyl-3-[2-(3-methoxyphenoxy)pyrimidin-5-yl]benzamide
CID 53116901
N-[(4-fluorophenyl)methyl]-3-[2-(4-methoxyphenoxy)pyrimidin-5-yl]benzamide
CID 53116852
N-(4-bromophenyl)-3-[2-(3-methoxyphenoxy)pyrimidin-5-yl]benzamide
CID 53116889
N-[(2,4-dimethoxyphenyl)methyl]-4-phenylbenzamide
CID 46590205
4-[2-(4-methoxyphenoxy)pyrimidin-5-yl]-N-[(3-methoxyphenyl)methyl]benzamide
CID 53116698
4-[2-(3-methoxyphenoxy)pyrimidin-5-yl]-N-[(4-propoxyphenyl)methyl]benzamide
CID 53116746
N-[(2,5-dimethoxyphenyl)methyl]-3-(6-phenylpyrimidin-4-yl)oxybenzamide
CID 53011552
N-(3-methoxypropyl)-3-(2-phenoxypyrimidin-5-yl)benzamide
CID 53116963
N-[(4-bromophenyl)methyl]-3-(2-phenoxypyrimidin-5-yl)benzamide
CID 53116997
N-[(2,4-dimethoxyphenyl)methyl]-2-oxo-1H-pyridine-4-carboxamide
CID 103762837
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-[2-(3-methoxyphenoxy)pyrimidin-5-yl]benzamide
CID 53116870
3-[2-(4-fluorophenoxy)pyrimidin-5-yl]-N-(2-methoxyphenyl)benzamide
CID 53116926

Frequently Asked Questions

What is the IUPAC name of N-[(2,4-dimethoxyphenyl)methyl]-3-[2-(3-methoxyphenoxy)pyrimidin-5-yl]benzamide?
The IUPAC name of N-[(2,4-dimethoxyphenyl)methyl]-3-[2-(3-methoxyphenoxy)pyrimidin-5-yl]benzamide (CID 53116904) is N-[(2,4-dimethoxyphenyl)methyl]-3-[2-(3-methoxyphenoxy)pyrimidin-5-yl]benzamide.
What is the SMILES notation for N-[(2,4-dimethoxyphenyl)methyl]-3-[2-(3-methoxyphenoxy)pyrimidin-5-yl]benzamide?
The canonical SMILES for N-[(2,4-dimethoxyphenyl)methyl]-3-[2-(3-methoxyphenoxy)pyrimidin-5-yl]benzamide is COc1cccc(Oc2ncc(-c3cccc(C(=O)NCc4ccc(OC)cc4OC)c3)cn2)c1.
What is the InChIKey of N-[(2,4-dimethoxyphenyl)methyl]-3-[2-(3-methoxyphenoxy)pyrimidin-5-yl]benzamide?
The InChIKey is FXOJEVQAXVUPIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H25N3O5/c1-32-22-8-5-9-24(13-22)35-27-29-16-21(17-30-27)18-6-4-7-19(12-18)26(31)28-15-20-10-11-23(33-2)14-25(20)34-3/h4-14,16-17H,15H2,1-3H3,(H,28,31).
What are the key properties of N-[(2,4-dimethoxyphenyl)methyl]-3-[2-(3-methoxyphenoxy)pyrimidin-5-yl]benzamide?
N-[(2,4-dimethoxyphenyl)methyl]-3-[2-(3-methoxyphenoxy)pyrimidin-5-yl]benzamide has a molecular weight of 471.51 g/mol, XLogP of 4.89, 9 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,4-dimethoxyphenyl)methyl]-3-[2-(3-methoxyphenoxy)pyrimidin-5-yl]benzamide is sourced from PubChem (CID 53116904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).