N-[2-(4-acetyl-N-[2-(cyclopentylamino)-1-(5-methylfuran-2-yl)-2-oxoethyl]anilino)-2-oxoethyl]furan-2-carboxamide

C27H29N3O6 — CID 3211369

About N-[2-(4-acetyl-N-[2-(cyclopentylamino)-1-(5-methylfuran-2-yl)-2-oxoethyl]anilino)-2-oxoethyl]furan-2-carboxamide

N-[2-(4-acetyl-N-[2-(cyclopentylamino)-1-(5-methylfuran-2-yl)-2-oxoethyl]anilino)-2-oxoethyl]furan-2-carboxamide (PubChem CID 3211369) has the molecular formula C27H29N3O6 and a molecular weight of 491.54 g/mol. Its IUPAC name is N-[2-(4-acetyl-N-[2-(cyclopentylamino)-1-(5-methylfuran-2-yl)-2-oxoethyl]anilino)-2-oxoethyl]furan-2-carboxamide.

Molecular Properties

• Compound Name: N-[2-(4-acetyl-N-[2-(cyclopentylamino)-1-(5-methylfuran-2-yl)-2-oxoethyl]anilino)-2-oxoethyl]furan-2-carboxamide
• PubChem CID: 3211369
• Molecular Formula: C27H29N3O6
• Molecular Weight: 491.54 g/mol
• Exact Mass: 491.21
• IUPAC Name: N-[2-(4-acetyl-N-[2-(cyclopentylamino)-1-(5-methylfuran-2-yl)-2-oxoethyl]anilino)-2-oxoethyl]furan-2-carboxamide
• SMILES: CC(=O)c1ccc(N(C(=O)CNC(=O)c2ccco2)C(C(=O)NC2CCCC2)c2ccc(C)o2)cc1
• InChI: InChI=1S/C27H29N3O6/c1-17-9-14-22(36-17)25(27(34)29-20-6-3-4-7-20)30(21-12-10-19(11-13-21)18(2)31)24(32)16-28-26(33)23-8-5-15-35-23/h5,8-15,20,25H,3-4,6-7,16H2,1-2H3,(H,28,33)(H,29,34)
• InChIKey: HERSGMIRRDCDTI-UHFFFAOYSA-N
• XLogP: 3.95
• TPSA: 121.86 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 9
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	491.54
LogP ≤ 5	3.95
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-acetyl-N-[2-(cyclopentylamino)-1-(5-methylfuran-2-yl)-2-oxoethyl]anilino)-2-oxoethyl]furan-2-carboxamide?

The IUPAC name of N-[2-(4-acetyl-N-[2-(cyclopentylamino)-1-(5-methylfuran-2-yl)-2-oxoethyl]anilino)-2-oxoethyl]furan-2-carboxamide (CID 3211369) is N-[2-(4-acetyl-N-[2-(cyclopentylamino)-1-(5-methylfuran-2-yl)-2-oxoethyl]anilino)-2-oxoethyl]furan-2-carboxamide.

What is the SMILES notation for N-[2-(4-acetyl-N-[2-(cyclopentylamino)-1-(5-methylfuran-2-yl)-2-oxoethyl]anilino)-2-oxoethyl]furan-2-carboxamide?

The canonical SMILES for N-[2-(4-acetyl-N-[2-(cyclopentylamino)-1-(5-methylfuran-2-yl)-2-oxoethyl]anilino)-2-oxoethyl]furan-2-carboxamide is CC(=O)c1ccc(N(C(=O)CNC(=O)c2ccco2)C(C(=O)NC2CCCC2)c2ccc(C)o2)cc1.

What is the InChIKey of N-[2-(4-acetyl-N-[2-(cyclopentylamino)-1-(5-methylfuran-2-yl)-2-oxoethyl]anilino)-2-oxoethyl]furan-2-carboxamide?

The InChIKey is HERSGMIRRDCDTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H29N3O6/c1-17-9-14-22(36-17)25(27(34)29-20-6-3-4-7-20)30(21-12-10-19(11-13-21)18(2)31)24(32)16-28-26(33)23-8-5-15-35-23/h5,8-15,20,25H,3-4,6-7,16H2,1-2H3,(H,28,33)(H,29,34).

What are the key properties of N-[2-(4-acetyl-N-[2-(cyclopentylamino)-1-(5-methylfuran-2-yl)-2-oxoethyl]anilino)-2-oxoethyl]furan-2-carboxamide?

N-[2-(4-acetyl-N-[2-(cyclopentylamino)-1-(5-methylfuran-2-yl)-2-oxoethyl]anilino)-2-oxoethyl]furan-2-carboxamide has a molecular weight of 491.54 g/mol, XLogP of 3.95, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2-(4-acetyl-N-[2-(cyclopentylamino)-1-(5-methylfuran-2-yl)-2-oxoethyl]anilino)-2-oxoethyl]furan-2-carboxamide is sourced from PubChem (CID 3211369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).