N-(3-methoxypropyl)-3-(2-phenoxypyrimidin-5-yl)benzamide

C21H21N3O3 — CID 53116963

IUPACN-(3-methoxypropyl)-3-(2-phenoxypyrimidin-5-yl)benzamide
SMILESCOCCCNC(=O)c1cccc(-c2cnc(Oc3ccccc3)nc2)c1
InChIInChI=1S/C21H21N3O3/c1-26-12-6-11-22-20(25)17-8-5-7-16(13-17)18-14-23-21(24-15-18)27-19-9-3-2-4-10-19/h2-5,7-10,13-15H,6,11-12H2,1H3,(H,22,25)
InChIKeyJFHRHWHGRODLMM-UHFFFAOYSA-N
MW363.42 g/mol
LogP3.70
Rot. Bonds8

About N-(3-methoxypropyl)-3-(2-phenoxypyrimidin-5-yl)benzamide

N-(3-methoxypropyl)-3-(2-phenoxypyrimidin-5-yl)benzamide (PubChem CID 53116963) has the molecular formula C21H21N3O3 and a molecular weight of 363.42 g/mol. Its IUPAC name is N-(3-methoxypropyl)-3-(2-phenoxypyrimidin-5-yl)benzamide.

Molecular Properties

Compound NameN-(3-methoxypropyl)-3-(2-phenoxypyrimidin-5-yl)benzamide
PubChem CID53116963
Molecular FormulaC21H21N3O3
Molecular Weight363.42 g/mol
Exact Mass363.16
IUPAC NameN-(3-methoxypropyl)-3-(2-phenoxypyrimidin-5-yl)benzamide
SMILESCOCCCNC(=O)c1cccc(-c2cnc(Oc3ccccc3)nc2)c1
InChIInChI=1S/C21H21N3O3/c1-26-12-6-11-22-20(25)17-8-5-7-16(13-17)18-14-23-21(24-15-18)27-19-9-3-2-4-10-19/h2-5,7-10,13-15H,6,11-12H2,1H3,(H,22,25)
InChIKeyJFHRHWHGRODLMM-UHFFFAOYSA-N
XLogP3.70
TPSA73.34 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.42
LogP ≤ 53.70
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

N-(3-methoxypropyl)-4-(2-phenoxypyrimidin-5-yl)benzamide
CID 53116798
N-benzyl-3-[2-(3-methoxyphenoxy)pyrimidin-5-yl]benzamide
CID 53116901
N-[(4-bromophenyl)methyl]-3-(2-phenoxypyrimidin-5-yl)benzamide
CID 53116997
N-(3-ethoxypropyl)-4-[2-(3-methoxyphenoxy)pyrimidin-5-yl]benzamide
CID 53116703
N-[(4-fluorophenyl)methyl]-3-[2-(4-methoxyphenoxy)pyrimidin-5-yl]benzamide
CID 53116852
3-N-(2-methoxyethyl)-1-N-(3-methoxypropyl)benzene-1,3-dicarboxamide
CID 109052487
N-(3-bromophenyl)-3-(2-phenoxypyrimidin-5-yl)benzamide
CID 53116986
N-[(2,4-dimethoxyphenyl)methyl]-3-[2-(3-methoxyphenoxy)pyrimidin-5-yl]benzamide
CID 53116904
N-(3-methoxypropyl)-6-phenylpyridine-3-carboxamide
CID 110683628
3-[2-(4-methoxyphenoxy)pyrimidin-5-yl]-N-(2-methylphenyl)benzamide
CID 53002812
N-[3-(2-methoxyethoxy)propyl]-6-phenoxypyridine-3-carboxamide
CID 87002549
4-[2-(4-methoxyphenoxy)pyrimidin-5-yl]-N-(2-phenylethyl)benzamide
CID 53116686

Frequently Asked Questions

What is the IUPAC name of N-(3-methoxypropyl)-3-(2-phenoxypyrimidin-5-yl)benzamide?
The IUPAC name of N-(3-methoxypropyl)-3-(2-phenoxypyrimidin-5-yl)benzamide (CID 53116963) is N-(3-methoxypropyl)-3-(2-phenoxypyrimidin-5-yl)benzamide.
What is the SMILES notation for N-(3-methoxypropyl)-3-(2-phenoxypyrimidin-5-yl)benzamide?
The canonical SMILES for N-(3-methoxypropyl)-3-(2-phenoxypyrimidin-5-yl)benzamide is COCCCNC(=O)c1cccc(-c2cnc(Oc3ccccc3)nc2)c1.
What is the InChIKey of N-(3-methoxypropyl)-3-(2-phenoxypyrimidin-5-yl)benzamide?
The InChIKey is JFHRHWHGRODLMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N3O3/c1-26-12-6-11-22-20(25)17-8-5-7-16(13-17)18-14-23-21(24-15-18)27-19-9-3-2-4-10-19/h2-5,7-10,13-15H,6,11-12H2,1H3,(H,22,25).
What are the key properties of N-(3-methoxypropyl)-3-(2-phenoxypyrimidin-5-yl)benzamide?
N-(3-methoxypropyl)-3-(2-phenoxypyrimidin-5-yl)benzamide has a molecular weight of 363.42 g/mol, XLogP of 3.70, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methoxypropyl)-3-(2-phenoxypyrimidin-5-yl)benzamide is sourced from PubChem (CID 53116963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).