N-[2-[1,3-benzodioxol-5-yl-[2-(cyclohexylamino)-1-(furan-2-yl)-2-oxoethyl]amino]-2-oxoethyl]furan-2-carboxamide

C26H27N3O7 — CID 4988120

About N-[2-[1,3-benzodioxol-5-yl-[2-(cyclohexylamino)-1-(furan-2-yl)-2-oxoethyl]amino]-2-oxoethyl]furan-2-carboxamide

N-[2-[1,3-benzodioxol-5-yl-[2-(cyclohexylamino)-1-(furan-2-yl)-2-oxoethyl]amino]-2-oxoethyl]furan-2-carboxamide (PubChem CID 4988120) has the molecular formula C26H27N3O7 and a molecular weight of 493.52 g/mol. Its IUPAC name is N-[2-[1,3-benzodioxol-5-yl-[2-(cyclohexylamino)-1-(furan-2-yl)-2-oxoethyl]amino]-2-oxoethyl]furan-2-carboxamide.

Molecular Properties

• Compound Name: N-[2-[1,3-benzodioxol-5-yl-[2-(cyclohexylamino)-1-(furan-2-yl)-2-oxoethyl]amino]-2-oxoethyl]furan-2-carboxamide
• PubChem CID: 4988120
• Molecular Formula: C26H27N3O7
• Molecular Weight: 493.52 g/mol
• Exact Mass: 493.18
• IUPAC Name: N-[2-[1,3-benzodioxol-5-yl-[2-(cyclohexylamino)-1-(furan-2-yl)-2-oxoethyl]amino]-2-oxoethyl]furan-2-carboxamide
• SMILES: O=C(NCC(=O)N(c1ccc2c(c1)OCO2)C(C(=O)NC1CCCCC1)c1ccco1)c1ccco1
• InChI: InChI=1S/C26H27N3O7/c30-23(15-27-25(31)21-9-5-13-34-21)29(18-10-11-19-22(14-18)36-16-35-19)24(20-8-4-12-33-20)26(32)28-17-6-2-1-3-7-17/h4-5,8-14,17,24H,1-3,6-7,15-16H2,(H,27,31)(H,28,32)
• InChIKey: VYFGWDGIDIISLS-UHFFFAOYSA-N
• XLogP: 3.55
• TPSA: 123.25 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 8
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	493.52
LogP ≤ 5	3.55
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of N-[2-[1,3-benzodioxol-5-yl-[2-(cyclohexylamino)-1-(furan-2-yl)-2-oxoethyl]amino]-2-oxoethyl]furan-2-carboxamide?

The IUPAC name of N-[2-[1,3-benzodioxol-5-yl-[2-(cyclohexylamino)-1-(furan-2-yl)-2-oxoethyl]amino]-2-oxoethyl]furan-2-carboxamide (CID 4988120) is N-[2-[1,3-benzodioxol-5-yl-[2-(cyclohexylamino)-1-(furan-2-yl)-2-oxoethyl]amino]-2-oxoethyl]furan-2-carboxamide.

What is the SMILES notation for N-[2-[1,3-benzodioxol-5-yl-[2-(cyclohexylamino)-1-(furan-2-yl)-2-oxoethyl]amino]-2-oxoethyl]furan-2-carboxamide?

The canonical SMILES for N-[2-[1,3-benzodioxol-5-yl-[2-(cyclohexylamino)-1-(furan-2-yl)-2-oxoethyl]amino]-2-oxoethyl]furan-2-carboxamide is O=C(NCC(=O)N(c1ccc2c(c1)OCO2)C(C(=O)NC1CCCCC1)c1ccco1)c1ccco1.

What is the InChIKey of N-[2-[1,3-benzodioxol-5-yl-[2-(cyclohexylamino)-1-(furan-2-yl)-2-oxoethyl]amino]-2-oxoethyl]furan-2-carboxamide?

The InChIKey is VYFGWDGIDIISLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H27N3O7/c30-23(15-27-25(31)21-9-5-13-34-21)29(18-10-11-19-22(14-18)36-16-35-19)24(20-8-4-12-33-20)26(32)28-17-6-2-1-3-7-17/h4-5,8-14,17,24H,1-3,6-7,15-16H2,(H,27,31)(H,28,32).

What are the key properties of N-[2-[1,3-benzodioxol-5-yl-[2-(cyclohexylamino)-1-(furan-2-yl)-2-oxoethyl]amino]-2-oxoethyl]furan-2-carboxamide?

N-[2-[1,3-benzodioxol-5-yl-[2-(cyclohexylamino)-1-(furan-2-yl)-2-oxoethyl]amino]-2-oxoethyl]furan-2-carboxamide has a molecular weight of 493.52 g/mol, XLogP of 3.55, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2-[1,3-benzodioxol-5-yl-[2-(cyclohexylamino)-1-(furan-2-yl)-2-oxoethyl]amino]-2-oxoethyl]furan-2-carboxamide is sourced from PubChem (CID 4988120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).