N-[2-[1,3-benzodioxol-5-ylmethyl-[(5-methylfuran-2-yl)methyl]amino]-2-oxoethyl]-3-methoxy-N-(2-methoxyethyl)benzamide

C27H30N2O7 — CID 4053324

About N-[2-[1,3-benzodioxol-5-ylmethyl-[(5-methylfuran-2-yl)methyl]amino]-2-oxoethyl]-3-methoxy-N-(2-methoxyethyl)benzamide

N-[2-[1,3-benzodioxol-5-ylmethyl-[(5-methylfuran-2-yl)methyl]amino]-2-oxoethyl]-3-methoxy-N-(2-methoxyethyl)benzamide (PubChem CID 4053324) has the molecular formula C27H30N2O7 and a molecular weight of 494.54 g/mol. Its IUPAC name is N-[2-[1,3-benzodioxol-5-ylmethyl-[(5-methylfuran-2-yl)methyl]amino]-2-oxoethyl]-3-methoxy-N-(2-methoxyethyl)benzamide.

Molecular Properties

• Compound Name: N-[2-[1,3-benzodioxol-5-ylmethyl-[(5-methylfuran-2-yl)methyl]amino]-2-oxoethyl]-3-methoxy-N-(2-methoxyethyl)benzamide
• PubChem CID: 4053324
• Molecular Formula: C27H30N2O7
• Molecular Weight: 494.54 g/mol
• Exact Mass: 494.21
• IUPAC Name: N-[2-[1,3-benzodioxol-5-ylmethyl-[(5-methylfuran-2-yl)methyl]amino]-2-oxoethyl]-3-methoxy-N-(2-methoxyethyl)benzamide
• SMILES: COCCN(CC(=O)N(Cc1ccc2c(c1)OCO2)Cc1ccc(C)o1)C(=O)c1cccc(OC)c1
• InChI: InChI=1S/C27H30N2O7/c1-19-7-9-23(36-19)16-29(15-20-8-10-24-25(13-20)35-18-34-24)26(30)17-28(11-12-32-2)27(31)21-5-4-6-22(14-21)33-3/h4-10,13-14H,11-12,15-18H2,1-3H3
• InChIKey: DASZQDZLYCOWQK-UHFFFAOYSA-N
• XLogP: 3.64
• TPSA: 90.68 Ų
• H-Bond Acceptors: 7
• Rotatable Bonds: 11
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	494.54
LogP ≤ 5	3.64
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of N-[2-[1,3-benzodioxol-5-ylmethyl-[(5-methylfuran-2-yl)methyl]amino]-2-oxoethyl]-3-methoxy-N-(2-methoxyethyl)benzamide?

The IUPAC name of N-[2-[1,3-benzodioxol-5-ylmethyl-[(5-methylfuran-2-yl)methyl]amino]-2-oxoethyl]-3-methoxy-N-(2-methoxyethyl)benzamide (CID 4053324) is N-[2-[1,3-benzodioxol-5-ylmethyl-[(5-methylfuran-2-yl)methyl]amino]-2-oxoethyl]-3-methoxy-N-(2-methoxyethyl)benzamide.

What is the SMILES notation for N-[2-[1,3-benzodioxol-5-ylmethyl-[(5-methylfuran-2-yl)methyl]amino]-2-oxoethyl]-3-methoxy-N-(2-methoxyethyl)benzamide?

The canonical SMILES for N-[2-[1,3-benzodioxol-5-ylmethyl-[(5-methylfuran-2-yl)methyl]amino]-2-oxoethyl]-3-methoxy-N-(2-methoxyethyl)benzamide is COCCN(CC(=O)N(Cc1ccc2c(c1)OCO2)Cc1ccc(C)o1)C(=O)c1cccc(OC)c1.

What is the InChIKey of N-[2-[1,3-benzodioxol-5-ylmethyl-[(5-methylfuran-2-yl)methyl]amino]-2-oxoethyl]-3-methoxy-N-(2-methoxyethyl)benzamide?

The InChIKey is DASZQDZLYCOWQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H30N2O7/c1-19-7-9-23(36-19)16-29(15-20-8-10-24-25(13-20)35-18-34-24)26(30)17-28(11-12-32-2)27(31)21-5-4-6-22(14-21)33-3/h4-10,13-14H,11-12,15-18H2,1-3H3.

What are the key properties of N-[2-[1,3-benzodioxol-5-ylmethyl-[(5-methylfuran-2-yl)methyl]amino]-2-oxoethyl]-3-methoxy-N-(2-methoxyethyl)benzamide?

N-[2-[1,3-benzodioxol-5-ylmethyl-[(5-methylfuran-2-yl)methyl]amino]-2-oxoethyl]-3-methoxy-N-(2-methoxyethyl)benzamide has a molecular weight of 494.54 g/mol, XLogP of 3.64, 11 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2-[1,3-benzodioxol-5-ylmethyl-[(5-methylfuran-2-yl)methyl]amino]-2-oxoethyl]-3-methoxy-N-(2-methoxyethyl)benzamide is sourced from PubChem (CID 4053324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).