N-(3-ethoxypropyl)-4-[6-(3-methoxyphenoxy)pyrimidin-4-yl]benzamide

C23H25N3O4 — CID 53021136

IUPACN-(3-ethoxypropyl)-4-[6-(3-methoxyphenoxy)pyrimidin-4-yl]benzamide
SMILESCCOCCCNC(=O)c1ccc(-c2cc(Oc3cccc(OC)c3)ncn2)cc1
InChIInChI=1S/C23H25N3O4/c1-3-29-13-5-12-24-23(27)18-10-8-17(9-11-18)21-15-22(26-16-25-21)30-20-7-4-6-19(14-20)28-2/h4,6-11,14-16H,3,5,12-13H2,1-2H3,(H,24,27)
InChIKeyUPHIRLLAUBTJDX-UHFFFAOYSA-N
MW407.47 g/mol
LogP4.10
Rot. Bonds10

About N-(3-ethoxypropyl)-4-[6-(3-methoxyphenoxy)pyrimidin-4-yl]benzamide

N-(3-ethoxypropyl)-4-[6-(3-methoxyphenoxy)pyrimidin-4-yl]benzamide (PubChem CID 53021136) has the molecular formula C23H25N3O4 and a molecular weight of 407.47 g/mol. Its IUPAC name is N-(3-ethoxypropyl)-4-[6-(3-methoxyphenoxy)pyrimidin-4-yl]benzamide.

Molecular Properties

Compound NameN-(3-ethoxypropyl)-4-[6-(3-methoxyphenoxy)pyrimidin-4-yl]benzamide
PubChem CID53021136
Molecular FormulaC23H25N3O4
Molecular Weight407.47 g/mol
Exact Mass407.18
IUPAC NameN-(3-ethoxypropyl)-4-[6-(3-methoxyphenoxy)pyrimidin-4-yl]benzamide
SMILESCCOCCCNC(=O)c1ccc(-c2cc(Oc3cccc(OC)c3)ncn2)cc1
InChIInChI=1S/C23H25N3O4/c1-3-29-13-5-12-24-23(27)18-10-8-17(9-11-18)21-15-22(26-16-25-21)30-20-7-4-6-19(14-20)28-2/h4,6-11,14-16H,3,5,12-13H2,1-2H3,(H,24,27)
InChIKeyUPHIRLLAUBTJDX-UHFFFAOYSA-N
XLogP4.10
TPSA82.57 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.47
LogP ≤ 54.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

N-(3-ethoxypropyl)-4-[2-(3-methoxyphenoxy)pyrimidin-5-yl]benzamide
CID 53116703
3-[6-(4-methoxyphenyl)pyrimidin-4-yl]oxy-N-pentylbenzamide
CID 53011517
N-pentyl-3-(6-phenylpyrimidin-4-yl)oxybenzamide
CID 53021376
N-(3,5-dimethylphenyl)-4-[6-(3-methoxyphenoxy)pyrimidin-4-yl]benzamide
CID 53115112
N-(3-methylbutyl)-4-(6-phenoxypyrimidin-4-yl)benzamide
CID 53021164
3-[6-(3-methoxyphenoxy)pyrimidin-4-yl]-N-[(4-methoxyphenyl)methyl]benzamide
CID 53021261
N-(3-ethoxypropyl)-4-[[6-(4-fluorophenyl)pyrimidin-4-yl]amino]benzamide
CID 50783831
N-[(2,5-dimethoxyphenyl)methyl]-3-(6-phenylpyrimidin-4-yl)oxybenzamide
CID 53011552
N-(2-methoxyethyl)-4-[6-[4-(2-methoxyethylcarbamoyl)phenyl]pyrimidin-4-yl]benzamide
CID 11080574
N-[2-(cyclohexen-1-yl)ethyl]-4-[6-(4-methoxyphenoxy)pyrimidin-4-yl]benzamide
CID 53115084
N-(3-methoxyphenyl)-3-(6-phenylpyrimidin-4-yl)oxybenzamide
CID 53021368
N-[[4-(diethylamino)phenyl]methyl]-4-[6-(4-methoxyphenoxy)pyrimidin-4-yl]benzamide
CID 53115089

Frequently Asked Questions

What is the IUPAC name of N-(3-ethoxypropyl)-4-[6-(3-methoxyphenoxy)pyrimidin-4-yl]benzamide?
The IUPAC name of N-(3-ethoxypropyl)-4-[6-(3-methoxyphenoxy)pyrimidin-4-yl]benzamide (CID 53021136) is N-(3-ethoxypropyl)-4-[6-(3-methoxyphenoxy)pyrimidin-4-yl]benzamide.
What is the SMILES notation for N-(3-ethoxypropyl)-4-[6-(3-methoxyphenoxy)pyrimidin-4-yl]benzamide?
The canonical SMILES for N-(3-ethoxypropyl)-4-[6-(3-methoxyphenoxy)pyrimidin-4-yl]benzamide is CCOCCCNC(=O)c1ccc(-c2cc(Oc3cccc(OC)c3)ncn2)cc1.
What is the InChIKey of N-(3-ethoxypropyl)-4-[6-(3-methoxyphenoxy)pyrimidin-4-yl]benzamide?
The InChIKey is UPHIRLLAUBTJDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N3O4/c1-3-29-13-5-12-24-23(27)18-10-8-17(9-11-18)21-15-22(26-16-25-21)30-20-7-4-6-19(14-20)28-2/h4,6-11,14-16H,3,5,12-13H2,1-2H3,(H,24,27).
What are the key properties of N-(3-ethoxypropyl)-4-[6-(3-methoxyphenoxy)pyrimidin-4-yl]benzamide?
N-(3-ethoxypropyl)-4-[6-(3-methoxyphenoxy)pyrimidin-4-yl]benzamide has a molecular weight of 407.47 g/mol, XLogP of 4.10, 10 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-ethoxypropyl)-4-[6-(3-methoxyphenoxy)pyrimidin-4-yl]benzamide is sourced from PubChem (CID 53021136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).