N-[1-(3,4-dimethoxyphenyl)ethyl]-3-[(4,6-dimethylpyrimidin-2-yl)amino]benzamide

C23H26N4O3 — CID 108792481

IUPACN-[1-(3,4-dimethoxyphenyl)ethyl]-3-[(4,6-dimethylpyrimidin-2-yl)amino]benzamide
SMILESCOc1ccc(C(C)NC(=O)c2cccc(Nc3nc(C)cc(C)n3)c2)cc1OC
InChIInChI=1S/C23H26N4O3/c1-14-11-15(2)25-23(24-14)27-19-8-6-7-18(12-19)22(28)26-16(3)17-9-10-20(29-4)21(13-17)30-5/h6-13,16H,1-5H3,(H,26,28)(H,24,25,27)
InChIKeyUWOIJBPJIYHRIK-UHFFFAOYSA-N
MW406.49 g/mol
LogP4.35
Rot. Bonds7

About N-[1-(3,4-dimethoxyphenyl)ethyl]-3-[(4,6-dimethylpyrimidin-2-yl)amino]benzamide

N-[1-(3,4-dimethoxyphenyl)ethyl]-3-[(4,6-dimethylpyrimidin-2-yl)amino]benzamide (PubChem CID 108792481) has the molecular formula C23H26N4O3 and a molecular weight of 406.49 g/mol. Its IUPAC name is N-[1-(3,4-dimethoxyphenyl)ethyl]-3-[(4,6-dimethylpyrimidin-2-yl)amino]benzamide.

Molecular Properties

Compound NameN-[1-(3,4-dimethoxyphenyl)ethyl]-3-[(4,6-dimethylpyrimidin-2-yl)amino]benzamide
PubChem CID108792481
Molecular FormulaC23H26N4O3
Molecular Weight406.49 g/mol
Exact Mass406.20
IUPAC NameN-[1-(3,4-dimethoxyphenyl)ethyl]-3-[(4,6-dimethylpyrimidin-2-yl)amino]benzamide
SMILESCOc1ccc(C(C)NC(=O)c2cccc(Nc3nc(C)cc(C)n3)c2)cc1OC
InChIInChI=1S/C23H26N4O3/c1-14-11-15(2)25-23(24-14)27-19-8-6-7-18(12-19)22(28)26-16(3)17-9-10-20(29-4)21(13-17)30-5/h6-13,16H,1-5H3,(H,26,28)(H,24,25,27)
InChIKeyUWOIJBPJIYHRIK-UHFFFAOYSA-N
XLogP4.35
TPSA85.37 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.49
LogP ≤ 54.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[(1S)-1-(4-chlorophenyl)ethyl]-3-[(4,6-dimethylpyrimidin-2-yl)amino]benzamide
CID 100779048
3-(benzenesulfonamido)-N-[1-(3,4-dimethoxyphenyl)ethyl]benzamide
CID 132611720
N-[1-(3,4-dimethoxyphenyl)ethyl]-4-methoxy-3-methylbenzamide
CID 43874097
N-[(1R)-1-(3,4-dimethoxyphenyl)ethyl]-3-(trifluoromethyl)benzamide
CID 28560234
1-[3-[[2-(3,4-dimethoxyanilino)-6-methylpyrimidin-4-yl]amino]phenyl]ethanone
CID 112931251
3-[(4,6-dimethylpyrimidin-2-yl)amino]-N-[(1R)-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]benzamide
CID 97265928
N-[1-(3,4-dimethoxyphenyl)ethyl]pyridine-4-carboxamide
CID 2970831
N-[1-(3,4-dimethoxyphenyl)ethyl]-4-propan-2-ylbenzamide
CID 17329415
3-acetamido-N-[(1R)-1-(3-fluoro-4-methoxyphenyl)ethyl]benzamide
CID 25438615
3-amino-N-[1-[3-methoxy-4-(2-methylpropoxy)phenyl]ethyl]benzamide;hydrochloride
CID 119732117
3-[(4,6-dimethylpyrimidin-2-yl)amino]-N-[1-[1-(2-methoxyethyl)benzimidazol-2-yl]ethyl]benzamide
CID 91821556
3,4-dimethoxy-N-[(1S)-1-(4-methoxyphenyl)ethyl]benzamide
CID 831207

Frequently Asked Questions

What is the IUPAC name of N-[1-(3,4-dimethoxyphenyl)ethyl]-3-[(4,6-dimethylpyrimidin-2-yl)amino]benzamide?
The IUPAC name of N-[1-(3,4-dimethoxyphenyl)ethyl]-3-[(4,6-dimethylpyrimidin-2-yl)amino]benzamide (CID 108792481) is N-[1-(3,4-dimethoxyphenyl)ethyl]-3-[(4,6-dimethylpyrimidin-2-yl)amino]benzamide.
What is the SMILES notation for N-[1-(3,4-dimethoxyphenyl)ethyl]-3-[(4,6-dimethylpyrimidin-2-yl)amino]benzamide?
The canonical SMILES for N-[1-(3,4-dimethoxyphenyl)ethyl]-3-[(4,6-dimethylpyrimidin-2-yl)amino]benzamide is COc1ccc(C(C)NC(=O)c2cccc(Nc3nc(C)cc(C)n3)c2)cc1OC.
What is the InChIKey of N-[1-(3,4-dimethoxyphenyl)ethyl]-3-[(4,6-dimethylpyrimidin-2-yl)amino]benzamide?
The InChIKey is UWOIJBPJIYHRIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N4O3/c1-14-11-15(2)25-23(24-14)27-19-8-6-7-18(12-19)22(28)26-16(3)17-9-10-20(29-4)21(13-17)30-5/h6-13,16H,1-5H3,(H,26,28)(H,24,25,27).
What are the key properties of N-[1-(3,4-dimethoxyphenyl)ethyl]-3-[(4,6-dimethylpyrimidin-2-yl)amino]benzamide?
N-[1-(3,4-dimethoxyphenyl)ethyl]-3-[(4,6-dimethylpyrimidin-2-yl)amino]benzamide has a molecular weight of 406.49 g/mol, XLogP of 4.35, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3,4-dimethoxyphenyl)ethyl]-3-[(4,6-dimethylpyrimidin-2-yl)amino]benzamide is sourced from PubChem (CID 108792481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).