2-[(4-methylphenyl)methylcarbamoylamino]-N-[[3-(pyridin-2-ylmethoxy)phenyl]methyl]acetamide

C24H26N4O3 — CID 46467326

IUPAC2-[(4-methylphenyl)methylcarbamoylamino]-N-[[3-(pyridin-2-ylmethoxy)phenyl]methyl]acetamide
SMILESCc1ccc(CNC(=O)NCC(=O)NCc2cccc(OCc3ccccn3)c2)cc1
InChIInChI=1S/C24H26N4O3/c1-18-8-10-19(11-9-18)14-27-24(30)28-16-23(29)26-15-20-5-4-7-22(13-20)31-17-21-6-2-3-12-25-21/h2-13H,14-17H2,1H3,(H,26,29)(H2,27,28,30)
InChIKeyONWQDXWNCKLWCK-UHFFFAOYSA-N
MW418.50 g/mol
LogP3.08
Rot. Bonds9

About 2-[(4-methylphenyl)methylcarbamoylamino]-N-[[3-(pyridin-2-ylmethoxy)phenyl]methyl]acetamide

2-[(4-methylphenyl)methylcarbamoylamino]-N-[[3-(pyridin-2-ylmethoxy)phenyl]methyl]acetamide (PubChem CID 46467326) has the molecular formula C24H26N4O3 and a molecular weight of 418.50 g/mol. Its IUPAC name is 2-[(4-methylphenyl)methylcarbamoylamino]-N-[[3-(pyridin-2-ylmethoxy)phenyl]methyl]acetamide.

Molecular Properties

Compound Name2-[(4-methylphenyl)methylcarbamoylamino]-N-[[3-(pyridin-2-ylmethoxy)phenyl]methyl]acetamide
PubChem CID46467326
Molecular FormulaC24H26N4O3
Molecular Weight418.50 g/mol
Exact Mass418.20
IUPAC Name2-[(4-methylphenyl)methylcarbamoylamino]-N-[[3-(pyridin-2-ylmethoxy)phenyl]methyl]acetamide
SMILESCc1ccc(CNC(=O)NCC(=O)NCc2cccc(OCc3ccccn3)c2)cc1
InChIInChI=1S/C24H26N4O3/c1-18-8-10-19(11-9-18)14-27-24(30)28-16-23(29)26-15-20-5-4-7-22(13-20)31-17-21-6-2-3-12-25-21/h2-13H,14-17H2,1H3,(H,26,29)(H2,27,28,30)
InChIKeyONWQDXWNCKLWCK-UHFFFAOYSA-N
XLogP3.08
TPSA92.35 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.50
LogP ≤ 53.08
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 2-[(4-methylphenyl)methylcarbamoylamino]-N-[[3-(pyridin-2-ylmethoxy)phenyl]methyl]acetamide with MolForge

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Related Compounds

2-[(4-fluorophenyl)methylcarbamoylamino]-N-[[3-(pyridin-2-ylmethoxy)phenyl]methyl]acetamide
CID 46467325
2-(2,6-dimethylphenoxy)-N-[[3-(pyridin-2-ylmethoxy)phenyl]methyl]acetamide
CID 46478039
2-methoxy-5-methyl-N-[[3-(pyridin-2-ylmethoxy)phenyl]methyl]benzamide
CID 55709278
2-[[4-(4-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-[[3-(pyridin-2-ylmethoxy)phenyl]methyl]acetamide
CID 55712349
5-oxo-5-[[3-(pyridin-2-ylmethoxy)phenyl]methylamino]pent-2-enoic acid
CID 75134507
2-naphthalen-1-yl-N-[2-oxo-2-[[4-(pyridin-2-ylmethoxy)phenyl]methylamino]ethyl]acetamide
CID 56798152
2-(4-methyl-1-oxophthalazin-2-yl)-N-[[3-(pyridin-2-ylmethoxy)phenyl]methyl]acetamide
CID 55712318
2-(2-chlorophenoxy)-N-[[3-(pyridin-2-ylmethoxy)phenyl]methyl]acetamide
CID 46590568
4-(methylsulfanylmethyl)-N-[[3-(pyridin-2-ylmethoxy)phenyl]methyl]benzamide
CID 55709365
5-(methoxymethyl)-N-[[3-(pyridin-2-ylmethoxy)phenyl]methyl]furan-2-carboxamide
CID 78875904
1-[(4-chlorophenyl)methyl]-2-methyl-3-[[3-(pyridin-2-ylmethoxy)phenyl]methyl]guanidine
CID 111131700
2-methyl-N-[4-methyl-3-[[3-(pyridin-2-ylmethoxy)phenyl]methylcarbamoylamino]phenyl]propanamide
CID 55743101

Frequently Asked Questions

What is the IUPAC name of 2-[(4-methylphenyl)methylcarbamoylamino]-N-[[3-(pyridin-2-ylmethoxy)phenyl]methyl]acetamide?
The IUPAC name of 2-[(4-methylphenyl)methylcarbamoylamino]-N-[[3-(pyridin-2-ylmethoxy)phenyl]methyl]acetamide (CID 46467326) is 2-[(4-methylphenyl)methylcarbamoylamino]-N-[[3-(pyridin-2-ylmethoxy)phenyl]methyl]acetamide.
What is the SMILES notation for 2-[(4-methylphenyl)methylcarbamoylamino]-N-[[3-(pyridin-2-ylmethoxy)phenyl]methyl]acetamide?
The canonical SMILES for 2-[(4-methylphenyl)methylcarbamoylamino]-N-[[3-(pyridin-2-ylmethoxy)phenyl]methyl]acetamide is Cc1ccc(CNC(=O)NCC(=O)NCc2cccc(OCc3ccccn3)c2)cc1.
What is the InChIKey of 2-[(4-methylphenyl)methylcarbamoylamino]-N-[[3-(pyridin-2-ylmethoxy)phenyl]methyl]acetamide?
The InChIKey is ONWQDXWNCKLWCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N4O3/c1-18-8-10-19(11-9-18)14-27-24(30)28-16-23(29)26-15-20-5-4-7-22(13-20)31-17-21-6-2-3-12-25-21/h2-13H,14-17H2,1H3,(H,26,29)(H2,27,28,30).
What are the key properties of 2-[(4-methylphenyl)methylcarbamoylamino]-N-[[3-(pyridin-2-ylmethoxy)phenyl]methyl]acetamide?
2-[(4-methylphenyl)methylcarbamoylamino]-N-[[3-(pyridin-2-ylmethoxy)phenyl]methyl]acetamide has a molecular weight of 418.50 g/mol, XLogP of 3.08, 9 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-methylphenyl)methylcarbamoylamino]-N-[[3-(pyridin-2-ylmethoxy)phenyl]methyl]acetamide is sourced from PubChem (CID 46467326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).