2-amino-N-[3-[(4-fluorophenyl)methoxy]-1-[[1-[1-(4-methoxyphenyl)-2-(4-methylpiperidin-1-yl)-2-oxoethyl]imidazol-4-yl]amino]-1-oxopropan-2-yl]-2-methylpropanamide

C32H41FN6O5 — CID 20710937

About 2-amino-N-[3-[(4-fluorophenyl)methoxy]-1-[[1-[1-(4-methoxyphenyl)-2-(4-methylpiperidin-1-yl)-2-oxoethyl]imidazol-4-yl]amino]-1-oxopropan-2-yl]-2-methylpropanamide

2-amino-N-[3-[(4-fluorophenyl)methoxy]-1-[[1-[1-(4-methoxyphenyl)-2-(4-methylpiperidin-1-yl)-2-oxoethyl]imidazol-4-yl]amino]-1-oxopropan-2-yl]-2-methylpropanamide (PubChem CID 20710937) has the molecular formula C32H41FN6O5 and a molecular weight of 608.72 g/mol. Its IUPAC name is 2-amino-N-[3-[(4-fluorophenyl)methoxy]-1-[[1-[1-(4-methoxyphenyl)-2-(4-methylpiperidin-1-yl)-2-oxoethyl]imidazol-4-yl]amino]-1-oxopropan-2-yl]-2-methylpropanamide.

Molecular Properties

• Compound Name: 2-amino-N-[3-[(4-fluorophenyl)methoxy]-1-[[1-[1-(4-methoxyphenyl)-2-(4-methylpiperidin-1-yl)-2-oxoethyl]imidazol-4-yl]amino]-1-oxopropan-2-yl]-2-methylpropanamide
• PubChem CID: 20710937
• Molecular Formula: C32H41FN6O5
• Molecular Weight: 608.72 g/mol
• Exact Mass: 608.31
• IUPAC Name: 2-amino-N-[3-[(4-fluorophenyl)methoxy]-1-[[1-[1-(4-methoxyphenyl)-2-(4-methylpiperidin-1-yl)-2-oxoethyl]imidazol-4-yl]amino]-1-oxopropan-2-yl]-2-methylpropanamide
• SMILES: COc1ccc(C(C(=O)N2CCC(C)CC2)n2cnc(NC(=O)C(COCc3ccc(F)cc3)NC(=O)C(C)(C)N)c2)cc1
• InChI: InChI=1S/C32H41FN6O5/c1-21-13-15-38(16-14-21)30(41)28(23-7-11-25(43-4)12-8-23)39-17-27(35-20-39)37-29(40)26(36-31(42)32(2,3)34)19-44-18-22-5-9-24(33)10-6-22/h5-12,17,20-21,26,28H,13-16,18-19,34H2,1-4H3,(H,36,42)(H,37,40)
• InChIKey: DAYLUCUQBOYAFC-UHFFFAOYSA-N
• XLogP: 3.26
• TPSA: 140.81 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 8
• Rotatable Bonds: 12
• Heavy Atoms: 44
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	608.72
LogP ≤ 5	3.26
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[3-[(4-fluorophenyl)methoxy]-1-[[1-[1-(4-methoxyphenyl)-2-(4-methylpiperidin-1-yl)-2-oxoethyl]imidazol-4-yl]amino]-1-oxopropan-2-yl]-2-methylpropanamide?

The IUPAC name of 2-amino-N-[3-[(4-fluorophenyl)methoxy]-1-[[1-[1-(4-methoxyphenyl)-2-(4-methylpiperidin-1-yl)-2-oxoethyl]imidazol-4-yl]amino]-1-oxopropan-2-yl]-2-methylpropanamide (CID 20710937) is 2-amino-N-[3-[(4-fluorophenyl)methoxy]-1-[[1-[1-(4-methoxyphenyl)-2-(4-methylpiperidin-1-yl)-2-oxoethyl]imidazol-4-yl]amino]-1-oxopropan-2-yl]-2-methylpropanamide.

What is the SMILES notation for 2-amino-N-[3-[(4-fluorophenyl)methoxy]-1-[[1-[1-(4-methoxyphenyl)-2-(4-methylpiperidin-1-yl)-2-oxoethyl]imidazol-4-yl]amino]-1-oxopropan-2-yl]-2-methylpropanamide?

The canonical SMILES for 2-amino-N-[3-[(4-fluorophenyl)methoxy]-1-[[1-[1-(4-methoxyphenyl)-2-(4-methylpiperidin-1-yl)-2-oxoethyl]imidazol-4-yl]amino]-1-oxopropan-2-yl]-2-methylpropanamide is COc1ccc(C(C(=O)N2CCC(C)CC2)n2cnc(NC(=O)C(COCc3ccc(F)cc3)NC(=O)C(C)(C)N)c2)cc1.

What is the InChIKey of 2-amino-N-[3-[(4-fluorophenyl)methoxy]-1-[[1-[1-(4-methoxyphenyl)-2-(4-methylpiperidin-1-yl)-2-oxoethyl]imidazol-4-yl]amino]-1-oxopropan-2-yl]-2-methylpropanamide?

The InChIKey is DAYLUCUQBOYAFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H41FN6O5/c1-21-13-15-38(16-14-21)30(41)28(23-7-11-25(43-4)12-8-23)39-17-27(35-20-39)37-29(40)26(36-31(42)32(2,3)34)19-44-18-22-5-9-24(33)10-6-22/h5-12,17,20-21,26,28H,13-16,18-19,34H2,1-4H3,(H,36,42)(H,37,40).

What are the key properties of 2-amino-N-[3-[(4-fluorophenyl)methoxy]-1-[[1-[1-(4-methoxyphenyl)-2-(4-methylpiperidin-1-yl)-2-oxoethyl]imidazol-4-yl]amino]-1-oxopropan-2-yl]-2-methylpropanamide?

2-amino-N-[3-[(4-fluorophenyl)methoxy]-1-[[1-[1-(4-methoxyphenyl)-2-(4-methylpiperidin-1-yl)-2-oxoethyl]imidazol-4-yl]amino]-1-oxopropan-2-yl]-2-methylpropanamide has a molecular weight of 608.72 g/mol, XLogP of 3.26, 12 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 2-amino-N-[3-[(4-fluorophenyl)methoxy]-1-[[1-[1-(4-methoxyphenyl)-2-(4-methylpiperidin-1-yl)-2-oxoethyl]imidazol-4-yl]amino]-1-oxopropan-2-yl]-2-methylpropanamide is sourced from PubChem (CID 20710937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).