3-methyl-N-[1-oxo-1-[1-[3-(pyridin-2-ylmethoxy)phenyl]ethylamino]propan-2-yl]benzamide

C25H27N3O3 — CID 55958530

IUPAC3-methyl-N-[1-oxo-1-[1-[3-(pyridin-2-ylmethoxy)phenyl]ethylamino]propan-2-yl]benzamide
SMILESCc1cccc(C(=O)NC(C)C(=O)NC(C)c2cccc(OCc3ccccn3)c2)c1
InChIInChI=1S/C25H27N3O3/c1-17-8-6-10-21(14-17)25(30)28-19(3)24(29)27-18(2)20-9-7-12-23(15-20)31-16-22-11-4-5-13-26-22/h4-15,18-19H,16H2,1-3H3,(H,27,29)(H,28,30)
InChIKeyAJFKAJUXTHTPIE-UHFFFAOYSA-N
MW417.51 g/mol
LogP3.96
Rot. Bonds8

About 3-methyl-N-[1-oxo-1-[1-[3-(pyridin-2-ylmethoxy)phenyl]ethylamino]propan-2-yl]benzamide

3-methyl-N-[1-oxo-1-[1-[3-(pyridin-2-ylmethoxy)phenyl]ethylamino]propan-2-yl]benzamide (PubChem CID 55958530) has the molecular formula C25H27N3O3 and a molecular weight of 417.51 g/mol. Its IUPAC name is 3-methyl-N-[1-oxo-1-[1-[3-(pyridin-2-ylmethoxy)phenyl]ethylamino]propan-2-yl]benzamide.

Molecular Properties

Compound Name3-methyl-N-[1-oxo-1-[1-[3-(pyridin-2-ylmethoxy)phenyl]ethylamino]propan-2-yl]benzamide
PubChem CID55958530
Molecular FormulaC25H27N3O3
Molecular Weight417.51 g/mol
Exact Mass417.21
IUPAC Name3-methyl-N-[1-oxo-1-[1-[3-(pyridin-2-ylmethoxy)phenyl]ethylamino]propan-2-yl]benzamide
SMILESCc1cccc(C(=O)NC(C)C(=O)NC(C)c2cccc(OCc3ccccn3)c2)c1
InChIInChI=1S/C25H27N3O3/c1-17-8-6-10-21(14-17)25(30)28-19(3)24(29)27-18(2)20-9-7-12-23(15-20)31-16-22-11-4-5-13-26-22/h4-15,18-19H,16H2,1-3H3,(H,27,29)(H,28,30)
InChIKeyAJFKAJUXTHTPIE-UHFFFAOYSA-N
XLogP3.96
TPSA80.32 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.51
LogP ≤ 53.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 3-methyl-N-[1-oxo-1-[1-[3-(pyridin-2-ylmethoxy)phenyl]ethylamino]propan-2-yl]benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[1-[3-(pyridin-2-ylmethoxy)phenyl]ethyl]pyridine-3-carboxamide
CID 47063190
2-chloro-N-[1-[3-(pyridin-2-ylmethoxy)phenyl]ethyl]pyridine-4-carboxamide
CID 55901872
4-iodo-N-[1-[3-(pyridin-2-ylmethoxy)phenyl]ethyl]benzamide
CID 55901485
3-(methanesulfonamido)-4-methyl-N-[1-[3-(pyridin-2-ylmethoxy)phenyl]ethyl]benzamide
CID 55958660
(2S)-2-amino-3,3-dimethyl-N-[1-[3-(pyridin-2-ylmethoxy)phenyl]ethyl]butanamide
CID 119852161
3-amino-2-methyl-N-[1-[3-(pyridin-2-ylmethoxy)phenyl]ethyl]butanamide;dihydrochloride
CID 120503030
3-methyl-N-[1-oxo-1-(1-phenylethylamino)propan-2-yl]benzamide
CID 46757042
4-methoxy-3-nitro-N-[1-[3-(pyridin-2-ylmethoxy)phenyl]ethyl]benzamide
CID 55902885
3-(prop-2-enylsulfamoyl)-N-[1-[3-(pyridin-2-ylmethoxy)phenyl]ethyl]benzamide
CID 55958408
2-fluoro-N-[3-methyl-1-oxo-1-[1-[3-(pyridin-2-ylmethoxy)phenyl]ethylamino]butan-2-yl]benzamide
CID 55901739
N-[1-[1-(3,4-diethoxyphenyl)ethylamino]-1-oxopropan-2-yl]-3-methylbenzamide
CID 78771810
N-[1-[3-(pyridin-2-ylmethoxy)phenyl]ethyl]-3-(pyrimidin-2-ylamino)propanamide
CID 55959044

Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-[1-oxo-1-[1-[3-(pyridin-2-ylmethoxy)phenyl]ethylamino]propan-2-yl]benzamide?
The IUPAC name of 3-methyl-N-[1-oxo-1-[1-[3-(pyridin-2-ylmethoxy)phenyl]ethylamino]propan-2-yl]benzamide (CID 55958530) is 3-methyl-N-[1-oxo-1-[1-[3-(pyridin-2-ylmethoxy)phenyl]ethylamino]propan-2-yl]benzamide.
What is the SMILES notation for 3-methyl-N-[1-oxo-1-[1-[3-(pyridin-2-ylmethoxy)phenyl]ethylamino]propan-2-yl]benzamide?
The canonical SMILES for 3-methyl-N-[1-oxo-1-[1-[3-(pyridin-2-ylmethoxy)phenyl]ethylamino]propan-2-yl]benzamide is Cc1cccc(C(=O)NC(C)C(=O)NC(C)c2cccc(OCc3ccccn3)c2)c1.
What is the InChIKey of 3-methyl-N-[1-oxo-1-[1-[3-(pyridin-2-ylmethoxy)phenyl]ethylamino]propan-2-yl]benzamide?
The InChIKey is AJFKAJUXTHTPIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27N3O3/c1-17-8-6-10-21(14-17)25(30)28-19(3)24(29)27-18(2)20-9-7-12-23(15-20)31-16-22-11-4-5-13-26-22/h4-15,18-19H,16H2,1-3H3,(H,27,29)(H,28,30).
What are the key properties of 3-methyl-N-[1-oxo-1-[1-[3-(pyridin-2-ylmethoxy)phenyl]ethylamino]propan-2-yl]benzamide?
3-methyl-N-[1-oxo-1-[1-[3-(pyridin-2-ylmethoxy)phenyl]ethylamino]propan-2-yl]benzamide has a molecular weight of 417.51 g/mol, XLogP of 3.96, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-[1-oxo-1-[1-[3-(pyridin-2-ylmethoxy)phenyl]ethylamino]propan-2-yl]benzamide is sourced from PubChem (CID 55958530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).