N-[2-[4-(4-tert-butylbenzoyl)piperazin-1-yl]ethyl]-N-[3-(2-methoxyphenyl)prop-2-enyl]furan-2-carboxamide

C32H39N3O4 — CID 1061304

About N-[2-[4-(4-tert-butylbenzoyl)piperazin-1-yl]ethyl]-N-[3-(2-methoxyphenyl)prop-2-enyl]furan-2-carboxamide

N-[2-[4-(4-tert-butylbenzoyl)piperazin-1-yl]ethyl]-N-[3-(2-methoxyphenyl)prop-2-enyl]furan-2-carboxamide (PubChem CID 1061304) has the molecular formula C32H39N3O4 and a molecular weight of 529.68 g/mol. Its IUPAC name is N-[2-[4-(4-tert-butylbenzoyl)piperazin-1-yl]ethyl]-N-[3-(2-methoxyphenyl)prop-2-enyl]furan-2-carboxamide.

Molecular Properties

• Compound Name: N-[2-[4-(4-tert-butylbenzoyl)piperazin-1-yl]ethyl]-N-[3-(2-methoxyphenyl)prop-2-enyl]furan-2-carboxamide
• PubChem CID: 1061304
• Molecular Formula: C32H39N3O4
• Molecular Weight: 529.68 g/mol
• Exact Mass: 529.29
• IUPAC Name: N-[2-[4-(4-tert-butylbenzoyl)piperazin-1-yl]ethyl]-N-[3-(2-methoxyphenyl)prop-2-enyl]furan-2-carboxamide
• SMILES: COc1ccccc1C=CCN(CCN1CCN(C(=O)c2ccc(C(C)(C)C)cc2)CC1)C(=O)c1ccco1
• InChI: InChI=1S/C32H39N3O4/c1-32(2,3)27-15-13-26(14-16-27)30(36)35-22-19-33(20-23-35)18-21-34(31(37)29-12-8-24-39-29)17-7-10-25-9-5-6-11-28(25)38-4/h5-16,24H,17-23H2,1-4H3
• InChIKey: MWFMCKYUSDLXAG-UHFFFAOYSA-N
• XLogP: 5.20
• TPSA: 66.23 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 9
• Heavy Atoms: 39
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	529.68
LogP ≤ 5	5.20
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of N-[2-[4-(4-tert-butylbenzoyl)piperazin-1-yl]ethyl]-N-[3-(2-methoxyphenyl)prop-2-enyl]furan-2-carboxamide?

The IUPAC name of N-[2-[4-(4-tert-butylbenzoyl)piperazin-1-yl]ethyl]-N-[3-(2-methoxyphenyl)prop-2-enyl]furan-2-carboxamide (CID 1061304) is N-[2-[4-(4-tert-butylbenzoyl)piperazin-1-yl]ethyl]-N-[3-(2-methoxyphenyl)prop-2-enyl]furan-2-carboxamide.

What is the SMILES notation for N-[2-[4-(4-tert-butylbenzoyl)piperazin-1-yl]ethyl]-N-[3-(2-methoxyphenyl)prop-2-enyl]furan-2-carboxamide?

The canonical SMILES for N-[2-[4-(4-tert-butylbenzoyl)piperazin-1-yl]ethyl]-N-[3-(2-methoxyphenyl)prop-2-enyl]furan-2-carboxamide is COc1ccccc1C=CCN(CCN1CCN(C(=O)c2ccc(C(C)(C)C)cc2)CC1)C(=O)c1ccco1.

What is the InChIKey of N-[2-[4-(4-tert-butylbenzoyl)piperazin-1-yl]ethyl]-N-[3-(2-methoxyphenyl)prop-2-enyl]furan-2-carboxamide?

The InChIKey is MWFMCKYUSDLXAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H39N3O4/c1-32(2,3)27-15-13-26(14-16-27)30(36)35-22-19-33(20-23-35)18-21-34(31(37)29-12-8-24-39-29)17-7-10-25-9-5-6-11-28(25)38-4/h5-16,24H,17-23H2,1-4H3.

What are the key properties of N-[2-[4-(4-tert-butylbenzoyl)piperazin-1-yl]ethyl]-N-[3-(2-methoxyphenyl)prop-2-enyl]furan-2-carboxamide?

N-[2-[4-(4-tert-butylbenzoyl)piperazin-1-yl]ethyl]-N-[3-(2-methoxyphenyl)prop-2-enyl]furan-2-carboxamide has a molecular weight of 529.68 g/mol, XLogP of 5.20, 9 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2-[4-(4-tert-butylbenzoyl)piperazin-1-yl]ethyl]-N-[3-(2-methoxyphenyl)prop-2-enyl]furan-2-carboxamide is sourced from PubChem (CID 1061304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).