3,5-dimethyl-N-[[4-[methyl(propan-2-yl)carbamoyl]phenyl]methyl]-4-(pyridin-3-ylmethoxy)benzamide

C27H31N3O3 — CID 55691089

About 3,5-dimethyl-N-[[4-[methyl(propan-2-yl)carbamoyl]phenyl]methyl]-4-(pyridin-3-ylmethoxy)benzamide

3,5-dimethyl-N-[[4-[methyl(propan-2-yl)carbamoyl]phenyl]methyl]-4-(pyridin-3-ylmethoxy)benzamide (PubChem CID 55691089) has the molecular formula C27H31N3O3 and a molecular weight of 445.56 g/mol. Its IUPAC name is 3,5-dimethyl-N-[[4-[methyl(propan-2-yl)carbamoyl]phenyl]methyl]-4-(pyridin-3-ylmethoxy)benzamide.

Molecular Properties

• Compound Name: 3,5-dimethyl-N-[[4-[methyl(propan-2-yl)carbamoyl]phenyl]methyl]-4-(pyridin-3-ylmethoxy)benzamide
• PubChem CID: 55691089
• Molecular Formula: C27H31N3O3
• Molecular Weight: 445.56 g/mol
• Exact Mass: 445.24
• IUPAC Name: 3,5-dimethyl-N-[[4-[methyl(propan-2-yl)carbamoyl]phenyl]methyl]-4-(pyridin-3-ylmethoxy)benzamide
• SMILES: Cc1cc(C(=O)NCc2ccc(C(=O)N(C)C(C)C)cc2)cc(C)c1OCc1cccnc1
• InChI: InChI=1S/C27H31N3O3/c1-18(2)30(5)27(32)23-10-8-21(9-11-23)16-29-26(31)24-13-19(3)25(20(4)14-24)33-17-22-7-6-12-28-15-22/h6-15,18H,16-17H2,1-5H3,(H,29,31)
• InChIKey: XWUCMWMEWHABSJ-UHFFFAOYSA-N
• XLogP: 4.69
• TPSA: 71.53 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 8
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	445.56
LogP ≤ 5	4.69
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 3,5-dimethyl-N-[[4-[methyl(propan-2-yl)carbamoyl]phenyl]methyl]-4-(pyridin-3-ylmethoxy)benzamide?

The IUPAC name of 3,5-dimethyl-N-[[4-[methyl(propan-2-yl)carbamoyl]phenyl]methyl]-4-(pyridin-3-ylmethoxy)benzamide (CID 55691089) is 3,5-dimethyl-N-[[4-[methyl(propan-2-yl)carbamoyl]phenyl]methyl]-4-(pyridin-3-ylmethoxy)benzamide.

What is the SMILES notation for 3,5-dimethyl-N-[[4-[methyl(propan-2-yl)carbamoyl]phenyl]methyl]-4-(pyridin-3-ylmethoxy)benzamide?

The canonical SMILES for 3,5-dimethyl-N-[[4-[methyl(propan-2-yl)carbamoyl]phenyl]methyl]-4-(pyridin-3-ylmethoxy)benzamide is Cc1cc(C(=O)NCc2ccc(C(=O)N(C)C(C)C)cc2)cc(C)c1OCc1cccnc1.

What is the InChIKey of 3,5-dimethyl-N-[[4-[methyl(propan-2-yl)carbamoyl]phenyl]methyl]-4-(pyridin-3-ylmethoxy)benzamide?

The InChIKey is XWUCMWMEWHABSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H31N3O3/c1-18(2)30(5)27(32)23-10-8-21(9-11-23)16-29-26(31)24-13-19(3)25(20(4)14-24)33-17-22-7-6-12-28-15-22/h6-15,18H,16-17H2,1-5H3,(H,29,31).

What are the key properties of 3,5-dimethyl-N-[[4-[methyl(propan-2-yl)carbamoyl]phenyl]methyl]-4-(pyridin-3-ylmethoxy)benzamide?

3,5-dimethyl-N-[[4-[methyl(propan-2-yl)carbamoyl]phenyl]methyl]-4-(pyridin-3-ylmethoxy)benzamide has a molecular weight of 445.56 g/mol, XLogP of 4.69, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 3,5-dimethyl-N-[[4-[methyl(propan-2-yl)carbamoyl]phenyl]methyl]-4-(pyridin-3-ylmethoxy)benzamide is sourced from PubChem (CID 55691089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).