1-(1,3-benzodioxol-5-yl)-N-[4-(2-methylpropoxy)naphthalen-1-yl]cyclopentane-1-carboxamide

C27H29NO4 — CID 100782956

About 1-(1,3-benzodioxol-5-yl)-N-[4-(2-methylpropoxy)naphthalen-1-yl]cyclopentane-1-carboxamide

1-(1,3-benzodioxol-5-yl)-N-[4-(2-methylpropoxy)naphthalen-1-yl]cyclopentane-1-carboxamide (PubChem CID 100782956) has the molecular formula C27H29NO4 and a molecular weight of 431.53 g/mol. Its IUPAC name is 1-(1,3-benzodioxol-5-yl)-N-[4-(2-methylpropoxy)naphthalen-1-yl]cyclopentane-1-carboxamide.

Molecular Properties

• Compound Name: 1-(1,3-benzodioxol-5-yl)-N-[4-(2-methylpropoxy)naphthalen-1-yl]cyclopentane-1-carboxamide
• PubChem CID: 100782956
• Molecular Formula: C27H29NO4
• Molecular Weight: 431.53 g/mol
• Exact Mass: 431.21
• IUPAC Name: 1-(1,3-benzodioxol-5-yl)-N-[4-(2-methylpropoxy)naphthalen-1-yl]cyclopentane-1-carboxamide
• SMILES: CC(C)COc1ccc(NC(=O)C2(c3ccc4c(c3)OCO4)CCCC2)c2ccccc12
• InChI: InChI=1S/C27H29NO4/c1-18(2)16-30-23-12-10-22(20-7-3-4-8-21(20)23)28-26(29)27(13-5-6-14-27)19-9-11-24-25(15-19)32-17-31-24/h3-4,7-12,15,18H,5-6,13-14,16-17H2,1-2H3,(H,28,29)
• InChIKey: KWLWDHZLKCDVQQ-UHFFFAOYSA-N
• XLogP: 6.05
• TPSA: 56.79 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 6
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	431.53
LogP ≤ 5	6.05
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 1-(1,3-benzodioxol-5-yl)-N-[4-(2-methylpropoxy)naphthalen-1-yl]cyclopentane-1-carboxamide?

The IUPAC name of 1-(1,3-benzodioxol-5-yl)-N-[4-(2-methylpropoxy)naphthalen-1-yl]cyclopentane-1-carboxamide (CID 100782956) is 1-(1,3-benzodioxol-5-yl)-N-[4-(2-methylpropoxy)naphthalen-1-yl]cyclopentane-1-carboxamide.

What is the SMILES notation for 1-(1,3-benzodioxol-5-yl)-N-[4-(2-methylpropoxy)naphthalen-1-yl]cyclopentane-1-carboxamide?

The canonical SMILES for 1-(1,3-benzodioxol-5-yl)-N-[4-(2-methylpropoxy)naphthalen-1-yl]cyclopentane-1-carboxamide is CC(C)COc1ccc(NC(=O)C2(c3ccc4c(c3)OCO4)CCCC2)c2ccccc12.

What is the InChIKey of 1-(1,3-benzodioxol-5-yl)-N-[4-(2-methylpropoxy)naphthalen-1-yl]cyclopentane-1-carboxamide?

The InChIKey is KWLWDHZLKCDVQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H29NO4/c1-18(2)16-30-23-12-10-22(20-7-3-4-8-21(20)23)28-26(29)27(13-5-6-14-27)19-9-11-24-25(15-19)32-17-31-24/h3-4,7-12,15,18H,5-6,13-14,16-17H2,1-2H3,(H,28,29).

What are the key properties of 1-(1,3-benzodioxol-5-yl)-N-[4-(2-methylpropoxy)naphthalen-1-yl]cyclopentane-1-carboxamide?

1-(1,3-benzodioxol-5-yl)-N-[4-(2-methylpropoxy)naphthalen-1-yl]cyclopentane-1-carboxamide has a molecular weight of 431.53 g/mol, XLogP of 6.05, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 1-(1,3-benzodioxol-5-yl)-N-[4-(2-methylpropoxy)naphthalen-1-yl]cyclopentane-1-carboxamide is sourced from PubChem (CID 100782956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).