3-[4-(2-methoxyphenoxy)pyrimidin-2-yl]-N-propan-2-ylbenzamide

C21H21N3O3 — CID 46386554

IUPAC3-[4-(2-methoxyphenoxy)pyrimidin-2-yl]-N-propan-2-ylbenzamide
SMILESCOc1ccccc1Oc1ccnc(-c2cccc(C(=O)NC(C)C)c2)n1
InChIInChI=1S/C21H21N3O3/c1-14(2)23-21(25)16-8-6-7-15(13-16)20-22-12-11-19(24-20)27-18-10-5-4-9-17(18)26-3/h4-14H,1-3H3,(H,23,25)
InChIKeyVAODVKZCAXGNGE-UHFFFAOYSA-N
MW363.42 g/mol
LogP4.08
Rot. Bonds6

About 3-[4-(2-methoxyphenoxy)pyrimidin-2-yl]-N-propan-2-ylbenzamide

3-[4-(2-methoxyphenoxy)pyrimidin-2-yl]-N-propan-2-ylbenzamide (PubChem CID 46386554) has the molecular formula C21H21N3O3 and a molecular weight of 363.42 g/mol. Its IUPAC name is 3-[4-(2-methoxyphenoxy)pyrimidin-2-yl]-N-propan-2-ylbenzamide.

Molecular Properties

Compound Name3-[4-(2-methoxyphenoxy)pyrimidin-2-yl]-N-propan-2-ylbenzamide
PubChem CID46386554
Molecular FormulaC21H21N3O3
Molecular Weight363.42 g/mol
Exact Mass363.16
IUPAC Name3-[4-(2-methoxyphenoxy)pyrimidin-2-yl]-N-propan-2-ylbenzamide
SMILESCOc1ccccc1Oc1ccnc(-c2cccc(C(=O)NC(C)C)c2)n1
InChIInChI=1S/C21H21N3O3/c1-14(2)23-21(25)16-8-6-7-15(13-16)20-22-12-11-19(24-20)27-18-10-5-4-9-17(18)26-3/h4-14H,1-3H3,(H,23,25)
InChIKeyVAODVKZCAXGNGE-UHFFFAOYSA-N
XLogP4.08
TPSA73.34 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.42
LogP ≤ 54.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-cyclopentyl-3-[4-(2-methoxyphenoxy)pyrimidin-2-yl]benzamide
CID 46386556
N-(5-chloro-2-methoxyphenyl)-3-[4-(2-methoxyphenoxy)pyrimidin-2-yl]benzamide
CID 46386575
N-[(2S)-butan-2-yl]-3-[4-(4-methoxyphenoxy)pyrimidin-2-yl]benzamide
CID 92882421
3-[4-(3-methoxyphenoxy)pyrimidin-2-yl]-N-[(1R)-1-(4-methylphenyl)ethyl]benzamide
CID 92882439
3-[4-(3-methoxyphenoxy)pyrimidin-2-yl]-N-[(4-methoxyphenyl)methyl]benzamide
CID 46386633
N-cyclopropyl-3-[6-(2-methoxyphenoxy)pyridazin-3-yl]benzamide
CID 46387034
N-[(2R)-butan-2-yl]-3-[2-(4-methylphenyl)pyrimidin-4-yl]oxybenzamide
CID 92883133
3-(1H-imidazol-2-yl)-N-[1-(2-methoxyphenoxy)propan-2-yl]benzamide
CID 77081119
N-[(2S)-1-methoxypropan-2-yl]-3-pyrimidin-2-ylbenzamide
CID 125168230
3-[2-(4-fluorophenyl)pyrimidin-4-yl]oxy-N-[(1R)-1-(4-methylphenyl)ethyl]benzamide
CID 92883131
N-butan-2-yl-4-[2-(3-methylphenyl)pyrimidin-4-yl]oxybenzamide
CID 83277133
N-(3,4-dimethoxyphenyl)-3-[(2-phenylpyrimidin-4-yl)amino]benzamide
CID 46331382

Frequently Asked Questions

What is the IUPAC name of 3-[4-(2-methoxyphenoxy)pyrimidin-2-yl]-N-propan-2-ylbenzamide?
The IUPAC name of 3-[4-(2-methoxyphenoxy)pyrimidin-2-yl]-N-propan-2-ylbenzamide (CID 46386554) is 3-[4-(2-methoxyphenoxy)pyrimidin-2-yl]-N-propan-2-ylbenzamide.
What is the SMILES notation for 3-[4-(2-methoxyphenoxy)pyrimidin-2-yl]-N-propan-2-ylbenzamide?
The canonical SMILES for 3-[4-(2-methoxyphenoxy)pyrimidin-2-yl]-N-propan-2-ylbenzamide is COc1ccccc1Oc1ccnc(-c2cccc(C(=O)NC(C)C)c2)n1.
What is the InChIKey of 3-[4-(2-methoxyphenoxy)pyrimidin-2-yl]-N-propan-2-ylbenzamide?
The InChIKey is VAODVKZCAXGNGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N3O3/c1-14(2)23-21(25)16-8-6-7-15(13-16)20-22-12-11-19(24-20)27-18-10-5-4-9-17(18)26-3/h4-14H,1-3H3,(H,23,25).
What are the key properties of 3-[4-(2-methoxyphenoxy)pyrimidin-2-yl]-N-propan-2-ylbenzamide?
3-[4-(2-methoxyphenoxy)pyrimidin-2-yl]-N-propan-2-ylbenzamide has a molecular weight of 363.42 g/mol, XLogP of 4.08, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(2-methoxyphenoxy)pyrimidin-2-yl]-N-propan-2-ylbenzamide is sourced from PubChem (CID 46386554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).