2,5-dimethyl-N-[1-[4-(pyridin-3-ylmethoxy)phenyl]ethyl]benzamide

C23H24N2O2 — CID 46454003

IUPAC2,5-dimethyl-N-[1-[4-(pyridin-3-ylmethoxy)phenyl]ethyl]benzamide
SMILESCc1ccc(C)c(C(=O)NC(C)c2ccc(OCc3cccnc3)cc2)c1
InChIInChI=1S/C23H24N2O2/c1-16-6-7-17(2)22(13-16)23(26)25-18(3)20-8-10-21(11-9-20)27-15-19-5-4-12-24-14-19/h4-14,18H,15H2,1-3H3,(H,25,26)
InChIKeyRKHCTOANMMBPDH-UHFFFAOYSA-N
MW360.46 g/mol
LogP4.77
Rot. Bonds6

About 2,5-dimethyl-N-[1-[4-(pyridin-3-ylmethoxy)phenyl]ethyl]benzamide

2,5-dimethyl-N-[1-[4-(pyridin-3-ylmethoxy)phenyl]ethyl]benzamide (PubChem CID 46454003) has the molecular formula C23H24N2O2 and a molecular weight of 360.46 g/mol. Its IUPAC name is 2,5-dimethyl-N-[1-[4-(pyridin-3-ylmethoxy)phenyl]ethyl]benzamide.

Molecular Properties

Compound Name2,5-dimethyl-N-[1-[4-(pyridin-3-ylmethoxy)phenyl]ethyl]benzamide
PubChem CID46454003
Molecular FormulaC23H24N2O2
Molecular Weight360.46 g/mol
Exact Mass360.18
IUPAC Name2,5-dimethyl-N-[1-[4-(pyridin-3-ylmethoxy)phenyl]ethyl]benzamide
SMILESCc1ccc(C)c(C(=O)NC(C)c2ccc(OCc3cccnc3)cc2)c1
InChIInChI=1S/C23H24N2O2/c1-16-6-7-17(2)22(13-16)23(26)25-18(3)20-8-10-21(11-9-20)27-15-19-5-4-12-24-14-19/h4-14,18H,15H2,1-3H3,(H,25,26)
InChIKeyRKHCTOANMMBPDH-UHFFFAOYSA-N
XLogP4.77
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.46
LogP ≤ 54.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-(ethylsulfamoyl)-2-methyl-N-[(1S)-1-[4-(pyridin-3-ylmethoxy)phenyl]ethyl]benzamide
CID 51658233
2-(2,4-dimethylphenyl)-5-methyl-N-[1-[4-(pyridin-3-ylmethoxy)phenyl]ethyl]triazole-4-carboxamide
CID 46454013
2-propan-2-ylsulfanyl-N-[1-[4-(pyridin-3-ylmethoxy)phenyl]ethyl]benzamide
CID 55967852
1-(4-methylphenyl)-N-[1-[4-(pyridin-3-ylmethoxy)phenyl]ethyl]-5-(trifluoromethyl)pyrazole-4-carboxamide
CID 55692630
5-bromo-N-[1-[4-(pyridin-3-ylmethoxy)phenyl]ethyl]furan-2-carboxamide
CID 55692986
5-(methoxymethyl)-N-[1-[4-(pyridin-3-ylmethoxy)phenyl]ethyl]furan-2-carboxamide
CID 78872272
N-[1-[4-(pyridin-3-ylmethoxy)phenyl]ethyl]-3-(pyrimidin-2-ylamino)propanamide
CID 55838629
4-bromo-5-propan-2-yl-N-[1-[4-(pyridin-3-ylmethoxy)phenyl]ethyl]-1H-pyrazole-3-carboxamide
CID 56567640
(E)-N-[1-(4-chlorophenyl)ethyl]-3-[4-(pyridin-3-ylmethoxy)phenyl]prop-2-enamide
CID 42950724
2-(3,5-dimethylpyrazol-1-yl)-N-[(1R)-1-[4-(pyridin-3-ylmethoxy)phenyl]ethyl]acetamide
CID 51943853
1-(2,6-dimethylphenyl)-3-[1-[4-(pyridin-3-ylmethoxy)phenyl]ethyl]thiourea
CID 43075928
1-(2,2-difluoroethyl)-1-methyl-3-[1-[4-(pyridin-3-ylmethoxy)phenyl]ethyl]urea
CID 71879259

Frequently Asked Questions

What is the IUPAC name of 2,5-dimethyl-N-[1-[4-(pyridin-3-ylmethoxy)phenyl]ethyl]benzamide?
The IUPAC name of 2,5-dimethyl-N-[1-[4-(pyridin-3-ylmethoxy)phenyl]ethyl]benzamide (CID 46454003) is 2,5-dimethyl-N-[1-[4-(pyridin-3-ylmethoxy)phenyl]ethyl]benzamide.
What is the SMILES notation for 2,5-dimethyl-N-[1-[4-(pyridin-3-ylmethoxy)phenyl]ethyl]benzamide?
The canonical SMILES for 2,5-dimethyl-N-[1-[4-(pyridin-3-ylmethoxy)phenyl]ethyl]benzamide is Cc1ccc(C)c(C(=O)NC(C)c2ccc(OCc3cccnc3)cc2)c1.
What is the InChIKey of 2,5-dimethyl-N-[1-[4-(pyridin-3-ylmethoxy)phenyl]ethyl]benzamide?
The InChIKey is RKHCTOANMMBPDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N2O2/c1-16-6-7-17(2)22(13-16)23(26)25-18(3)20-8-10-21(11-9-20)27-15-19-5-4-12-24-14-19/h4-14,18H,15H2,1-3H3,(H,25,26).
What are the key properties of 2,5-dimethyl-N-[1-[4-(pyridin-3-ylmethoxy)phenyl]ethyl]benzamide?
2,5-dimethyl-N-[1-[4-(pyridin-3-ylmethoxy)phenyl]ethyl]benzamide has a molecular weight of 360.46 g/mol, XLogP of 4.77, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dimethyl-N-[1-[4-(pyridin-3-ylmethoxy)phenyl]ethyl]benzamide is sourced from PubChem (CID 46454003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).