4-tert-butyl-N-cyclopropyl-N-[2-[furan-2-ylmethyl-[(1-methylpyrrol-2-yl)methyl]amino]-2-oxoethyl]benzamide

C27H33N3O3 — CID 1057184

About 4-tert-butyl-N-cyclopropyl-N-[2-[furan-2-ylmethyl-[(1-methylpyrrol-2-yl)methyl]amino]-2-oxoethyl]benzamide

4-tert-butyl-N-cyclopropyl-N-[2-[furan-2-ylmethyl-[(1-methylpyrrol-2-yl)methyl]amino]-2-oxoethyl]benzamide (PubChem CID 1057184) has the molecular formula C27H33N3O3 and a molecular weight of 447.58 g/mol. Its IUPAC name is 4-tert-butyl-N-cyclopropyl-N-[2-[furan-2-ylmethyl-[(1-methylpyrrol-2-yl)methyl]amino]-2-oxoethyl]benzamide.

Molecular Properties

• Compound Name: 4-tert-butyl-N-cyclopropyl-N-[2-[furan-2-ylmethyl-[(1-methylpyrrol-2-yl)methyl]amino]-2-oxoethyl]benzamide
• PubChem CID: 1057184
• Molecular Formula: C27H33N3O3
• Molecular Weight: 447.58 g/mol
• Exact Mass: 447.25
• IUPAC Name: 4-tert-butyl-N-cyclopropyl-N-[2-[furan-2-ylmethyl-[(1-methylpyrrol-2-yl)methyl]amino]-2-oxoethyl]benzamide
• SMILES: Cn1cccc1CN(Cc1ccco1)C(=O)CN(C(=O)c1ccc(C(C)(C)C)cc1)C1CC1
• InChI: InChI=1S/C27H33N3O3/c1-27(2,3)21-11-9-20(10-12-21)26(32)30(22-13-14-22)19-25(31)29(18-24-8-6-16-33-24)17-23-7-5-15-28(23)4/h5-12,15-16,22H,13-14,17-19H2,1-4H3
• InChIKey: GYVXXGMWRUTOPA-UHFFFAOYSA-N
• XLogP: 4.75
• TPSA: 58.69 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 8
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	447.58
LogP ≤ 5	4.75
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-N-cyclopropyl-N-[2-[furan-2-ylmethyl-[(1-methylpyrrol-2-yl)methyl]amino]-2-oxoethyl]benzamide?

The IUPAC name of 4-tert-butyl-N-cyclopropyl-N-[2-[furan-2-ylmethyl-[(1-methylpyrrol-2-yl)methyl]amino]-2-oxoethyl]benzamide (CID 1057184) is 4-tert-butyl-N-cyclopropyl-N-[2-[furan-2-ylmethyl-[(1-methylpyrrol-2-yl)methyl]amino]-2-oxoethyl]benzamide.

What is the SMILES notation for 4-tert-butyl-N-cyclopropyl-N-[2-[furan-2-ylmethyl-[(1-methylpyrrol-2-yl)methyl]amino]-2-oxoethyl]benzamide?

The canonical SMILES for 4-tert-butyl-N-cyclopropyl-N-[2-[furan-2-ylmethyl-[(1-methylpyrrol-2-yl)methyl]amino]-2-oxoethyl]benzamide is Cn1cccc1CN(Cc1ccco1)C(=O)CN(C(=O)c1ccc(C(C)(C)C)cc1)C1CC1.

What is the InChIKey of 4-tert-butyl-N-cyclopropyl-N-[2-[furan-2-ylmethyl-[(1-methylpyrrol-2-yl)methyl]amino]-2-oxoethyl]benzamide?

The InChIKey is GYVXXGMWRUTOPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H33N3O3/c1-27(2,3)21-11-9-20(10-12-21)26(32)30(22-13-14-22)19-25(31)29(18-24-8-6-16-33-24)17-23-7-5-15-28(23)4/h5-12,15-16,22H,13-14,17-19H2,1-4H3.

What are the key properties of 4-tert-butyl-N-cyclopropyl-N-[2-[furan-2-ylmethyl-[(1-methylpyrrol-2-yl)methyl]amino]-2-oxoethyl]benzamide?

4-tert-butyl-N-cyclopropyl-N-[2-[furan-2-ylmethyl-[(1-methylpyrrol-2-yl)methyl]amino]-2-oxoethyl]benzamide has a molecular weight of 447.58 g/mol, XLogP of 4.75, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 4-tert-butyl-N-cyclopropyl-N-[2-[furan-2-ylmethyl-[(1-methylpyrrol-2-yl)methyl]amino]-2-oxoethyl]benzamide is sourced from PubChem (CID 1057184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).