4-(methoxymethyl)-N-[4-[[4-(methoxymethyl)benzoyl]-(pyridin-2-ylmethyl)amino]phenyl]benzamide

C30H29N3O4 — CID 47080763

IUPAC4-(methoxymethyl)-N-[4-[[4-(methoxymethyl)benzoyl]-(pyridin-2-ylmethyl)amino]phenyl]benzamide
SMILESCOCc1ccc(C(=O)Nc2ccc(N(Cc3ccccn3)C(=O)c3ccc(COC)cc3)cc2)cc1
InChIInChI=1S/C30H29N3O4/c1-36-20-22-6-10-24(11-7-22)29(34)32-26-14-16-28(17-15-26)33(19-27-5-3-4-18-31-27)30(35)25-12-8-23(9-13-25)21-37-2/h3-18H,19-21H2,1-2H3,(H,32,34)
InChIKeyQULCLYYDZNOOJW-UHFFFAOYSA-N
MW495.58 g/mol
LogP5.47
Rot. Bonds10

About 4-(methoxymethyl)-N-[4-[[4-(methoxymethyl)benzoyl]-(pyridin-2-ylmethyl)amino]phenyl]benzamide

4-(methoxymethyl)-N-[4-[[4-(methoxymethyl)benzoyl]-(pyridin-2-ylmethyl)amino]phenyl]benzamide (PubChem CID 47080763) has the molecular formula C30H29N3O4 and a molecular weight of 495.58 g/mol. Its IUPAC name is 4-(methoxymethyl)-N-[4-[[4-(methoxymethyl)benzoyl]-(pyridin-2-ylmethyl)amino]phenyl]benzamide.

Molecular Properties

Compound Name4-(methoxymethyl)-N-[4-[[4-(methoxymethyl)benzoyl]-(pyridin-2-ylmethyl)amino]phenyl]benzamide
PubChem CID47080763
Molecular FormulaC30H29N3O4
Molecular Weight495.58 g/mol
Exact Mass495.22
IUPAC Name4-(methoxymethyl)-N-[4-[[4-(methoxymethyl)benzoyl]-(pyridin-2-ylmethyl)amino]phenyl]benzamide
SMILESCOCc1ccc(C(=O)Nc2ccc(N(Cc3ccccn3)C(=O)c3ccc(COC)cc3)cc2)cc1
InChIInChI=1S/C30H29N3O4/c1-36-20-22-6-10-24(11-7-22)29(34)32-26-14-16-28(17-15-26)33(19-27-5-3-4-18-31-27)30(35)25-12-8-23(9-13-25)21-37-2/h3-18H,19-21H2,1-2H3,(H,32,34)
InChIKeyQULCLYYDZNOOJW-UHFFFAOYSA-N
XLogP5.47
TPSA80.76 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500495.58
LogP ≤ 55.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-phenyl-N-(pyridin-2-ylmethyl)benzamide
CID 12559708
N-(4-chlorophenyl)-N-(pyridin-2-ylmethyl)-4-(2,2,2-trifluoroethoxymethyl)benzamide
CID 55890240
N-[4-(2-methoxyethoxy)phenyl]-4-(methoxymethyl)benzamide
CID 46441939
N-(4-iodophenyl)-4-(methoxymethyl)benzamide
CID 8571988
N-(4-bromophenyl)-4-(dimethylsulfamoyl)-N-(pyridin-2-ylmethyl)benzamide
CID 60533673
4-(methoxymethyl)-N-quinolin-3-ylbenzamide
CID 18153378
4-(methoxymethyl)-N-(4-methylsulfanylphenyl)benzamide
CID 9153906
N-[4-(2-aminoethyl)phenyl]-6-[[bis(pyridin-2-ylmethyl)amino]methyl]pyridine-3-carboxamide
CID 134263953
4-N-ethyl-1-N,4-N-diphenylbenzene-1,4-dicarboxamide
CID 109049216
N-(4-chlorophenyl)-5-[(2-methoxyphenoxy)methyl]-N-(pyridin-2-ylmethyl)furan-2-carboxamide
CID 55890626
4-(methoxymethyl)-N-[4-(propan-2-ylcarbamoylamino)phenyl]benzamide
CID 38196484
4-benzamido-N-[3-(methoxymethyl)phenyl]benzamide
CID 32639408

Frequently Asked Questions

What is the IUPAC name of 4-(methoxymethyl)-N-[4-[[4-(methoxymethyl)benzoyl]-(pyridin-2-ylmethyl)amino]phenyl]benzamide?
The IUPAC name of 4-(methoxymethyl)-N-[4-[[4-(methoxymethyl)benzoyl]-(pyridin-2-ylmethyl)amino]phenyl]benzamide (CID 47080763) is 4-(methoxymethyl)-N-[4-[[4-(methoxymethyl)benzoyl]-(pyridin-2-ylmethyl)amino]phenyl]benzamide.
What is the SMILES notation for 4-(methoxymethyl)-N-[4-[[4-(methoxymethyl)benzoyl]-(pyridin-2-ylmethyl)amino]phenyl]benzamide?
The canonical SMILES for 4-(methoxymethyl)-N-[4-[[4-(methoxymethyl)benzoyl]-(pyridin-2-ylmethyl)amino]phenyl]benzamide is COCc1ccc(C(=O)Nc2ccc(N(Cc3ccccn3)C(=O)c3ccc(COC)cc3)cc2)cc1.
What is the InChIKey of 4-(methoxymethyl)-N-[4-[[4-(methoxymethyl)benzoyl]-(pyridin-2-ylmethyl)amino]phenyl]benzamide?
The InChIKey is QULCLYYDZNOOJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H29N3O4/c1-36-20-22-6-10-24(11-7-22)29(34)32-26-14-16-28(17-15-26)33(19-27-5-3-4-18-31-27)30(35)25-12-8-23(9-13-25)21-37-2/h3-18H,19-21H2,1-2H3,(H,32,34).
What are the key properties of 4-(methoxymethyl)-N-[4-[[4-(methoxymethyl)benzoyl]-(pyridin-2-ylmethyl)amino]phenyl]benzamide?
4-(methoxymethyl)-N-[4-[[4-(methoxymethyl)benzoyl]-(pyridin-2-ylmethyl)amino]phenyl]benzamide has a molecular weight of 495.58 g/mol, XLogP of 5.47, 10 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(methoxymethyl)-N-[4-[[4-(methoxymethyl)benzoyl]-(pyridin-2-ylmethyl)amino]phenyl]benzamide is sourced from PubChem (CID 47080763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).