2-[(4-chlorophenyl)methyl-[3-(2,3-dihydro-1,4-benzodioxin-6-yl)propanoyl]amino]-N-propan-2-ylpropanamide

C24H29ClN2O4 — CID 132673304

About 2-[(4-chlorophenyl)methyl-[3-(2,3-dihydro-1,4-benzodioxin-6-yl)propanoyl]amino]-N-propan-2-ylpropanamide

2-[(4-chlorophenyl)methyl-[3-(2,3-dihydro-1,4-benzodioxin-6-yl)propanoyl]amino]-N-propan-2-ylpropanamide (PubChem CID 132673304) has the molecular formula C24H29ClN2O4 and a molecular weight of 444.96 g/mol. Its IUPAC name is 2-[(4-chlorophenyl)methyl-[3-(2,3-dihydro-1,4-benzodioxin-6-yl)propanoyl]amino]-N-propan-2-ylpropanamide.

Molecular Properties

• Compound Name: 2-[(4-chlorophenyl)methyl-[3-(2,3-dihydro-1,4-benzodioxin-6-yl)propanoyl]amino]-N-propan-2-ylpropanamide
• PubChem CID: 132673304
• Molecular Formula: C24H29ClN2O4
• Molecular Weight: 444.96 g/mol
• Exact Mass: 444.18
• IUPAC Name: 2-[(4-chlorophenyl)methyl-[3-(2,3-dihydro-1,4-benzodioxin-6-yl)propanoyl]amino]-N-propan-2-ylpropanamide
• SMILES: CC(C)NC(=O)C(C)N(Cc1ccc(Cl)cc1)C(=O)CCc1ccc2c(c1)OCCO2
• InChI: InChI=1S/C24H29ClN2O4/c1-16(2)26-24(29)17(3)27(15-19-4-8-20(25)9-5-19)23(28)11-7-18-6-10-21-22(14-18)31-13-12-30-21/h4-6,8-10,14,16-17H,7,11-13,15H2,1-3H3,(H,26,29)
• InChIKey: MWENGBPQHUKNBQ-UHFFFAOYSA-N
• XLogP: 3.99
• TPSA: 67.87 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 8
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	444.96
LogP ≤ 5	3.99
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 2-[(4-chlorophenyl)methyl-[3-(2,3-dihydro-1,4-benzodioxin-6-yl)propanoyl]amino]-N-propan-2-ylpropanamide?

The IUPAC name of 2-[(4-chlorophenyl)methyl-[3-(2,3-dihydro-1,4-benzodioxin-6-yl)propanoyl]amino]-N-propan-2-ylpropanamide (CID 132673304) is 2-[(4-chlorophenyl)methyl-[3-(2,3-dihydro-1,4-benzodioxin-6-yl)propanoyl]amino]-N-propan-2-ylpropanamide.

What is the SMILES notation for 2-[(4-chlorophenyl)methyl-[3-(2,3-dihydro-1,4-benzodioxin-6-yl)propanoyl]amino]-N-propan-2-ylpropanamide?

The canonical SMILES for 2-[(4-chlorophenyl)methyl-[3-(2,3-dihydro-1,4-benzodioxin-6-yl)propanoyl]amino]-N-propan-2-ylpropanamide is CC(C)NC(=O)C(C)N(Cc1ccc(Cl)cc1)C(=O)CCc1ccc2c(c1)OCCO2.

What is the InChIKey of 2-[(4-chlorophenyl)methyl-[3-(2,3-dihydro-1,4-benzodioxin-6-yl)propanoyl]amino]-N-propan-2-ylpropanamide?

The InChIKey is MWENGBPQHUKNBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29ClN2O4/c1-16(2)26-24(29)17(3)27(15-19-4-8-20(25)9-5-19)23(28)11-7-18-6-10-21-22(14-18)31-13-12-30-21/h4-6,8-10,14,16-17H,7,11-13,15H2,1-3H3,(H,26,29).

What are the key properties of 2-[(4-chlorophenyl)methyl-[3-(2,3-dihydro-1,4-benzodioxin-6-yl)propanoyl]amino]-N-propan-2-ylpropanamide?

2-[(4-chlorophenyl)methyl-[3-(2,3-dihydro-1,4-benzodioxin-6-yl)propanoyl]amino]-N-propan-2-ylpropanamide has a molecular weight of 444.96 g/mol, XLogP of 3.99, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[(4-chlorophenyl)methyl-[3-(2,3-dihydro-1,4-benzodioxin-6-yl)propanoyl]amino]-N-propan-2-ylpropanamide is sourced from PubChem (CID 132673304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).