N-butan-2-yl-N-[2-[2-(3,4-dimethoxyphenyl)ethyl-[(5-methylfuran-2-yl)methyl]amino]-2-oxoethyl]furan-2-carboxamide

C27H34N2O6 — CID 5176279

About N-butan-2-yl-N-[2-[2-(3,4-dimethoxyphenyl)ethyl-[(5-methylfuran-2-yl)methyl]amino]-2-oxoethyl]furan-2-carboxamide

N-butan-2-yl-N-[2-[2-(3,4-dimethoxyphenyl)ethyl-[(5-methylfuran-2-yl)methyl]amino]-2-oxoethyl]furan-2-carboxamide (PubChem CID 5176279) has the molecular formula C27H34N2O6 and a molecular weight of 482.58 g/mol. Its IUPAC name is N-butan-2-yl-N-[2-[2-(3,4-dimethoxyphenyl)ethyl-[(5-methylfuran-2-yl)methyl]amino]-2-oxoethyl]furan-2-carboxamide.

Molecular Properties

• Compound Name: N-butan-2-yl-N-[2-[2-(3,4-dimethoxyphenyl)ethyl-[(5-methylfuran-2-yl)methyl]amino]-2-oxoethyl]furan-2-carboxamide
• PubChem CID: 5176279
• Molecular Formula: C27H34N2O6
• Molecular Weight: 482.58 g/mol
• Exact Mass: 482.24
• IUPAC Name: N-butan-2-yl-N-[2-[2-(3,4-dimethoxyphenyl)ethyl-[(5-methylfuran-2-yl)methyl]amino]-2-oxoethyl]furan-2-carboxamide
• SMILES: CCC(C)N(CC(=O)N(CCc1ccc(OC)c(OC)c1)Cc1ccc(C)o1)C(=O)c1ccco1
• InChI: InChI=1S/C27H34N2O6/c1-6-19(2)29(27(31)24-8-7-15-34-24)18-26(30)28(17-22-11-9-20(3)35-22)14-13-21-10-12-23(32-4)25(16-21)33-5/h7-12,15-16,19H,6,13-14,17-18H2,1-5H3
• InChIKey: HGRDIAACLXFSCC-UHFFFAOYSA-N
• XLogP: 4.71
• TPSA: 85.36 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 12
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	482.58
LogP ≤ 5	4.71
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of N-butan-2-yl-N-[2-[2-(3,4-dimethoxyphenyl)ethyl-[(5-methylfuran-2-yl)methyl]amino]-2-oxoethyl]furan-2-carboxamide?

The IUPAC name of N-butan-2-yl-N-[2-[2-(3,4-dimethoxyphenyl)ethyl-[(5-methylfuran-2-yl)methyl]amino]-2-oxoethyl]furan-2-carboxamide (CID 5176279) is N-butan-2-yl-N-[2-[2-(3,4-dimethoxyphenyl)ethyl-[(5-methylfuran-2-yl)methyl]amino]-2-oxoethyl]furan-2-carboxamide.

What is the SMILES notation for N-butan-2-yl-N-[2-[2-(3,4-dimethoxyphenyl)ethyl-[(5-methylfuran-2-yl)methyl]amino]-2-oxoethyl]furan-2-carboxamide?

The canonical SMILES for N-butan-2-yl-N-[2-[2-(3,4-dimethoxyphenyl)ethyl-[(5-methylfuran-2-yl)methyl]amino]-2-oxoethyl]furan-2-carboxamide is CCC(C)N(CC(=O)N(CCc1ccc(OC)c(OC)c1)Cc1ccc(C)o1)C(=O)c1ccco1.

What is the InChIKey of N-butan-2-yl-N-[2-[2-(3,4-dimethoxyphenyl)ethyl-[(5-methylfuran-2-yl)methyl]amino]-2-oxoethyl]furan-2-carboxamide?

The InChIKey is HGRDIAACLXFSCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H34N2O6/c1-6-19(2)29(27(31)24-8-7-15-34-24)18-26(30)28(17-22-11-9-20(3)35-22)14-13-21-10-12-23(32-4)25(16-21)33-5/h7-12,15-16,19H,6,13-14,17-18H2,1-5H3.

What are the key properties of N-butan-2-yl-N-[2-[2-(3,4-dimethoxyphenyl)ethyl-[(5-methylfuran-2-yl)methyl]amino]-2-oxoethyl]furan-2-carboxamide?

N-butan-2-yl-N-[2-[2-(3,4-dimethoxyphenyl)ethyl-[(5-methylfuran-2-yl)methyl]amino]-2-oxoethyl]furan-2-carboxamide has a molecular weight of 482.58 g/mol, XLogP of 4.71, 12 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-butan-2-yl-N-[2-[2-(3,4-dimethoxyphenyl)ethyl-[(5-methylfuran-2-yl)methyl]amino]-2-oxoethyl]furan-2-carboxamide is sourced from PubChem (CID 5176279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).