N-[[3-[(2-methoxyacetyl)amino]phenyl]methyl]-3,5-dimethyl-4-(pyridin-3-ylmethoxy)benzamide

C25H27N3O4 — CID 55690549

IUPACN-[[3-[(2-methoxyacetyl)amino]phenyl]methyl]-3,5-dimethyl-4-(pyridin-3-ylmethoxy)benzamide
SMILESCOCC(=O)Nc1cccc(CNC(=O)c2cc(C)c(OCc3cccnc3)c(C)c2)c1
InChIInChI=1S/C25H27N3O4/c1-17-10-21(11-18(2)24(17)32-15-20-7-5-9-26-13-20)25(30)27-14-19-6-4-8-22(12-19)28-23(29)16-31-3/h4-13H,14-16H2,1-3H3,(H,27,30)(H,28,29)
InChIKeyQTGKNQQSSRWKRE-UHFFFAOYSA-N
MW433.51 g/mol
LogP3.79
Rot. Bonds9

About N-[[3-[(2-methoxyacetyl)amino]phenyl]methyl]-3,5-dimethyl-4-(pyridin-3-ylmethoxy)benzamide

N-[[3-[(2-methoxyacetyl)amino]phenyl]methyl]-3,5-dimethyl-4-(pyridin-3-ylmethoxy)benzamide (PubChem CID 55690549) has the molecular formula C25H27N3O4 and a molecular weight of 433.51 g/mol. Its IUPAC name is N-[[3-[(2-methoxyacetyl)amino]phenyl]methyl]-3,5-dimethyl-4-(pyridin-3-ylmethoxy)benzamide.

Molecular Properties

Compound NameN-[[3-[(2-methoxyacetyl)amino]phenyl]methyl]-3,5-dimethyl-4-(pyridin-3-ylmethoxy)benzamide
PubChem CID55690549
Molecular FormulaC25H27N3O4
Molecular Weight433.51 g/mol
Exact Mass433.20
IUPAC NameN-[[3-[(2-methoxyacetyl)amino]phenyl]methyl]-3,5-dimethyl-4-(pyridin-3-ylmethoxy)benzamide
SMILESCOCC(=O)Nc1cccc(CNC(=O)c2cc(C)c(OCc3cccnc3)c(C)c2)c1
InChIInChI=1S/C25H27N3O4/c1-17-10-21(11-18(2)24(17)32-15-20-7-5-9-26-13-20)25(30)27-14-19-6-4-8-22(12-19)28-23(29)16-31-3/h4-13H,14-16H2,1-3H3,(H,27,30)(H,28,29)
InChIKeyQTGKNQQSSRWKRE-UHFFFAOYSA-N
XLogP3.79
TPSA89.55 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.51
LogP ≤ 53.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[[3-[[2-(2,3,6-trimethylphenoxy)acetyl]amino]phenyl]methyl]pyridine-3-carboxamide
CID 108926328
N-[[3-(cyanomethoxy)phenyl]methyl]-3,5-dimethyl-4-(pyridin-3-ylmethoxy)benzamide
CID 86946683
3,5-dimethyl-N-[[4-(propan-2-ylcarbamoylamino)phenyl]methyl]-4-(pyridin-3-ylmethoxy)benzamide
CID 46456498
N-[[3-[4-(2,6-dimethylphenoxy)butanoylamino]phenyl]methyl]pyridine-3-carboxamide
CID 108926336
N,3,5-trimethyl-4-(pyridin-3-ylmethoxy)benzamide
CID 166187994
3,5-dimethyl-N-[2-(methylamino)ethyl]-4-(pyridin-3-ylmethoxy)benzamide
CID 119503562
N'-[3,5-dimethyl-4-(pyridin-3-ylmethoxy)benzoyl]pyridine-3-carbohydrazide
CID 39716937
3,5-dimethyl-N-[[4-[methyl(propan-2-yl)carbamoyl]phenyl]methyl]-4-(pyridin-3-ylmethoxy)benzamide
CID 55691089
N-[[3-[[2-(4-ethoxyphenoxy)acetyl]amino]phenyl]methyl]pyridine-3-carboxamide
CID 108926398
N-(3-hydroxy-4-pyridinyl)-3,5-dimethyl-4-(pyridin-3-ylmethoxy)benzamide
CID 75370477
methyl 2-chloro-5-[[3,5-dimethyl-4-(pyridin-3-ylmethoxy)benzoyl]amino]benzoate
CID 55762087
N-[[3-(propanoylamino)phenyl]methyl]pyridine-3-carboxamide
CID 108926394

Frequently Asked Questions

What is the IUPAC name of N-[[3-[(2-methoxyacetyl)amino]phenyl]methyl]-3,5-dimethyl-4-(pyridin-3-ylmethoxy)benzamide?
The IUPAC name of N-[[3-[(2-methoxyacetyl)amino]phenyl]methyl]-3,5-dimethyl-4-(pyridin-3-ylmethoxy)benzamide (CID 55690549) is N-[[3-[(2-methoxyacetyl)amino]phenyl]methyl]-3,5-dimethyl-4-(pyridin-3-ylmethoxy)benzamide.
What is the SMILES notation for N-[[3-[(2-methoxyacetyl)amino]phenyl]methyl]-3,5-dimethyl-4-(pyridin-3-ylmethoxy)benzamide?
The canonical SMILES for N-[[3-[(2-methoxyacetyl)amino]phenyl]methyl]-3,5-dimethyl-4-(pyridin-3-ylmethoxy)benzamide is COCC(=O)Nc1cccc(CNC(=O)c2cc(C)c(OCc3cccnc3)c(C)c2)c1.
What is the InChIKey of N-[[3-[(2-methoxyacetyl)amino]phenyl]methyl]-3,5-dimethyl-4-(pyridin-3-ylmethoxy)benzamide?
The InChIKey is QTGKNQQSSRWKRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27N3O4/c1-17-10-21(11-18(2)24(17)32-15-20-7-5-9-26-13-20)25(30)27-14-19-6-4-8-22(12-19)28-23(29)16-31-3/h4-13H,14-16H2,1-3H3,(H,27,30)(H,28,29).
What are the key properties of N-[[3-[(2-methoxyacetyl)amino]phenyl]methyl]-3,5-dimethyl-4-(pyridin-3-ylmethoxy)benzamide?
N-[[3-[(2-methoxyacetyl)amino]phenyl]methyl]-3,5-dimethyl-4-(pyridin-3-ylmethoxy)benzamide has a molecular weight of 433.51 g/mol, XLogP of 3.79, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-[(2-methoxyacetyl)amino]phenyl]methyl]-3,5-dimethyl-4-(pyridin-3-ylmethoxy)benzamide is sourced from PubChem (CID 55690549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).