N-ethyl-2-[(6-methyl-2-phenylpyrimidin-4-yl)methoxy]benzamide

C21H21N3O2 — CID 167803400

IUPACN-ethyl-2-[(6-methyl-2-phenylpyrimidin-4-yl)methoxy]benzamide
SMILESCCNC(=O)c1ccccc1OCc1cc(C)nc(-c2ccccc2)n1
InChIInChI=1S/C21H21N3O2/c1-3-22-21(25)18-11-7-8-12-19(18)26-14-17-13-15(2)23-20(24-17)16-9-5-4-6-10-16/h4-13H,3,14H2,1-2H3,(H,22,25)
InChIKeyNCOTZOBAKYUOBG-UHFFFAOYSA-N
MW347.42 g/mol
LogP3.78
Rot. Bonds6

About N-ethyl-2-[(6-methyl-2-phenylpyrimidin-4-yl)methoxy]benzamide

N-ethyl-2-[(6-methyl-2-phenylpyrimidin-4-yl)methoxy]benzamide (PubChem CID 167803400) has the molecular formula C21H21N3O2 and a molecular weight of 347.42 g/mol. Its IUPAC name is N-ethyl-2-[(6-methyl-2-phenylpyrimidin-4-yl)methoxy]benzamide.

Molecular Properties

Compound NameN-ethyl-2-[(6-methyl-2-phenylpyrimidin-4-yl)methoxy]benzamide
PubChem CID167803400
Molecular FormulaC21H21N3O2
Molecular Weight347.42 g/mol
Exact Mass347.16
IUPAC NameN-ethyl-2-[(6-methyl-2-phenylpyrimidin-4-yl)methoxy]benzamide
SMILESCCNC(=O)c1ccccc1OCc1cc(C)nc(-c2ccccc2)n1
InChIInChI=1S/C21H21N3O2/c1-3-22-21(25)18-11-7-8-12-19(18)26-14-17-13-15(2)23-20(24-17)16-9-5-4-6-10-16/h4-13H,3,14H2,1-2H3,(H,22,25)
InChIKeyNCOTZOBAKYUOBG-UHFFFAOYSA-N
XLogP3.78
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.42
LogP ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(2-methylphenyl)methyl]-2-[(3-phenyl-1,2,4-oxadiazol-5-yl)methoxy]benzamide
CID 25238417
N-ethyl-2,4-diphenylpyrimidine-5-carboxamide
CID 1470755
N-benzyl-2-[(5-phenyl-1,2-oxazol-3-yl)methoxy]benzamide
CID 9354603
2-[(2-methyl-1,3-thiazol-4-yl)methoxy]-N-prop-2-ynylbenzamide
CID 24641781
2-(difluoromethoxy)-N-ethylbenzamide
CID 60644731
[2-(ethylcarbamoyl)phenyl] carbamate
CID 175851847
N-(3-hydroxypropyl)-2-[(6-methylimidazo[1,2-a]pyridin-2-yl)methoxy]benzamide
CID 78876020
2-[(2-methyl-1,3-thiazol-4-yl)methoxy]-N-(3-phenylprop-2-ynyl)benzamide
CID 24646797
N-[(2R)-2-(ethylamino)propyl]-2-[(6-methylimidazo[1,2-a]pyridin-2-yl)methoxy]benzamide;dihydrochloride
CID 120653338
N-(2-amino-2-methylpropyl)-2-[(6-methylimidazo[1,2-a]pyridin-2-yl)methoxy]benzamide;dihydrochloride
CID 119629513
2-[[2-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]benzoyl]amino]butanoic acid
CID 119224012
N-ethyl-2-[(4-phenylbenzoyl)amino]benzamide
CID 4949283

Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-[(6-methyl-2-phenylpyrimidin-4-yl)methoxy]benzamide?
The IUPAC name of N-ethyl-2-[(6-methyl-2-phenylpyrimidin-4-yl)methoxy]benzamide (CID 167803400) is N-ethyl-2-[(6-methyl-2-phenylpyrimidin-4-yl)methoxy]benzamide.
What is the SMILES notation for N-ethyl-2-[(6-methyl-2-phenylpyrimidin-4-yl)methoxy]benzamide?
The canonical SMILES for N-ethyl-2-[(6-methyl-2-phenylpyrimidin-4-yl)methoxy]benzamide is CCNC(=O)c1ccccc1OCc1cc(C)nc(-c2ccccc2)n1.
What is the InChIKey of N-ethyl-2-[(6-methyl-2-phenylpyrimidin-4-yl)methoxy]benzamide?
The InChIKey is NCOTZOBAKYUOBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N3O2/c1-3-22-21(25)18-11-7-8-12-19(18)26-14-17-13-15(2)23-20(24-17)16-9-5-4-6-10-16/h4-13H,3,14H2,1-2H3,(H,22,25).
What are the key properties of N-ethyl-2-[(6-methyl-2-phenylpyrimidin-4-yl)methoxy]benzamide?
N-ethyl-2-[(6-methyl-2-phenylpyrimidin-4-yl)methoxy]benzamide has a molecular weight of 347.42 g/mol, XLogP of 3.78, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-[(6-methyl-2-phenylpyrimidin-4-yl)methoxy]benzamide is sourced from PubChem (CID 167803400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).