4-(1-phenoxypropan-2-yl)-N-[(2,4,6-trimethyl-1,2-dihydropyridin-3-yl)methyl]benzamide

C25H30N2O2 — CID 118562885

IUPAC4-(1-phenoxypropan-2-yl)-N-[(2,4,6-trimethyl-1,2-dihydropyridin-3-yl)methyl]benzamide
SMILESCC1=CC(C)=C(CNC(=O)c2ccc(C(C)COc3ccccc3)cc2)C(C)N1
InChIInChI=1S/C25H30N2O2/c1-17-14-19(3)27-20(4)24(17)15-26-25(28)22-12-10-21(11-13-22)18(2)16-29-23-8-6-5-7-9-23/h5-14,18,20,27H,15-16H2,1-4H3,(H,26,28)
InChIKeyNYSYAMZUGCOZBI-UHFFFAOYSA-N
MW390.53 g/mol
LogP4.81
Rot. Bonds7

About 4-(1-phenoxypropan-2-yl)-N-[(2,4,6-trimethyl-1,2-dihydropyridin-3-yl)methyl]benzamide

4-(1-phenoxypropan-2-yl)-N-[(2,4,6-trimethyl-1,2-dihydropyridin-3-yl)methyl]benzamide (PubChem CID 118562885) has the molecular formula C25H30N2O2 and a molecular weight of 390.53 g/mol. Its IUPAC name is 4-(1-phenoxypropan-2-yl)-N-[(2,4,6-trimethyl-1,2-dihydropyridin-3-yl)methyl]benzamide.

Molecular Properties

Compound Name4-(1-phenoxypropan-2-yl)-N-[(2,4,6-trimethyl-1,2-dihydropyridin-3-yl)methyl]benzamide
PubChem CID118562885
Molecular FormulaC25H30N2O2
Molecular Weight390.53 g/mol
Exact Mass390.23
IUPAC Name4-(1-phenoxypropan-2-yl)-N-[(2,4,6-trimethyl-1,2-dihydropyridin-3-yl)methyl]benzamide
SMILESCC1=CC(C)=C(CNC(=O)c2ccc(C(C)COc3ccccc3)cc2)C(C)N1
InChIInChI=1S/C25H30N2O2/c1-17-14-19(3)27-20(4)24(17)15-26-25(28)22-12-10-21(11-13-22)18(2)16-29-23-8-6-5-7-9-23/h5-14,18,20,27H,15-16H2,1-4H3,(H,26,28)
InChIKeyNYSYAMZUGCOZBI-UHFFFAOYSA-N
XLogP4.81
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.53
LogP ≤ 54.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 4-(1-phenoxypropan-2-yl)-N-[(2,4,6-trimethyl-1,2-dihydropyridin-3-yl)methyl]benzamide with MolForge

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 4-(1-phenoxypropan-2-yl)-N-[(2,4,6-trimethyl-1,2-dihydropyridin-3-yl)methyl]benzamide?
The IUPAC name of 4-(1-phenoxypropan-2-yl)-N-[(2,4,6-trimethyl-1,2-dihydropyridin-3-yl)methyl]benzamide (CID 118562885) is 4-(1-phenoxypropan-2-yl)-N-[(2,4,6-trimethyl-1,2-dihydropyridin-3-yl)methyl]benzamide.
What is the SMILES notation for 4-(1-phenoxypropan-2-yl)-N-[(2,4,6-trimethyl-1,2-dihydropyridin-3-yl)methyl]benzamide?
The canonical SMILES for 4-(1-phenoxypropan-2-yl)-N-[(2,4,6-trimethyl-1,2-dihydropyridin-3-yl)methyl]benzamide is CC1=CC(C)=C(CNC(=O)c2ccc(C(C)COc3ccccc3)cc2)C(C)N1.
What is the InChIKey of 4-(1-phenoxypropan-2-yl)-N-[(2,4,6-trimethyl-1,2-dihydropyridin-3-yl)methyl]benzamide?
The InChIKey is NYSYAMZUGCOZBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H30N2O2/c1-17-14-19(3)27-20(4)24(17)15-26-25(28)22-12-10-21(11-13-22)18(2)16-29-23-8-6-5-7-9-23/h5-14,18,20,27H,15-16H2,1-4H3,(H,26,28).
What are the key properties of 4-(1-phenoxypropan-2-yl)-N-[(2,4,6-trimethyl-1,2-dihydropyridin-3-yl)methyl]benzamide?
4-(1-phenoxypropan-2-yl)-N-[(2,4,6-trimethyl-1,2-dihydropyridin-3-yl)methyl]benzamide has a molecular weight of 390.53 g/mol, XLogP of 4.81, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-phenoxypropan-2-yl)-N-[(2,4,6-trimethyl-1,2-dihydropyridin-3-yl)methyl]benzamide is sourced from PubChem (CID 118562885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).