5-[(4-methoxyphenyl)carbamoylamino]-2-[4-(2-methoxyphenyl)piperazin-1-yl]-N-(2-morpholin-4-ylethyl)benzamide

C32H40N6O5 — CID 1064693

About 5-[(4-methoxyphenyl)carbamoylamino]-2-[4-(2-methoxyphenyl)piperazin-1-yl]-N-(2-morpholin-4-ylethyl)benzamide

5-[(4-methoxyphenyl)carbamoylamino]-2-[4-(2-methoxyphenyl)piperazin-1-yl]-N-(2-morpholin-4-ylethyl)benzamide (PubChem CID 1064693) has the molecular formula C32H40N6O5 and a molecular weight of 588.71 g/mol. Its IUPAC name is 5-[(4-methoxyphenyl)carbamoylamino]-2-[4-(2-methoxyphenyl)piperazin-1-yl]-N-(2-morpholin-4-ylethyl)benzamide.

Molecular Properties

• Compound Name: 5-[(4-methoxyphenyl)carbamoylamino]-2-[4-(2-methoxyphenyl)piperazin-1-yl]-N-(2-morpholin-4-ylethyl)benzamide
• PubChem CID: 1064693
• Molecular Formula: C32H40N6O5
• Molecular Weight: 588.71 g/mol
• Exact Mass: 588.31
• IUPAC Name: 5-[(4-methoxyphenyl)carbamoylamino]-2-[4-(2-methoxyphenyl)piperazin-1-yl]-N-(2-morpholin-4-ylethyl)benzamide
• SMILES: COc1ccc(NC(=O)Nc2ccc(N3CCN(c4ccccc4OC)CC3)c(C(=O)NCCN3CCOCC3)c2)cc1
• InChI: InChI=1S/C32H40N6O5/c1-41-26-10-7-24(8-11-26)34-32(40)35-25-9-12-28(27(23-25)31(39)33-13-14-36-19-21-43-22-20-36)37-15-17-38(18-16-37)29-5-3-4-6-30(29)42-2/h3-12,23H,13-22H2,1-2H3,(H,33,39)(H2,34,35,40)
• InChIKey: AWDKYWTVXZMANM-UHFFFAOYSA-N
• XLogP: 3.74
• TPSA: 107.64 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 8
• Rotatable Bonds: 10
• Heavy Atoms: 43
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	588.71
LogP ≤ 5	3.74
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	8

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 5-[(4-methoxyphenyl)carbamoylamino]-2-[4-(2-methoxyphenyl)piperazin-1-yl]-N-(2-morpholin-4-ylethyl)benzamide?

The IUPAC name of 5-[(4-methoxyphenyl)carbamoylamino]-2-[4-(2-methoxyphenyl)piperazin-1-yl]-N-(2-morpholin-4-ylethyl)benzamide (CID 1064693) is 5-[(4-methoxyphenyl)carbamoylamino]-2-[4-(2-methoxyphenyl)piperazin-1-yl]-N-(2-morpholin-4-ylethyl)benzamide.

What is the SMILES notation for 5-[(4-methoxyphenyl)carbamoylamino]-2-[4-(2-methoxyphenyl)piperazin-1-yl]-N-(2-morpholin-4-ylethyl)benzamide?

The canonical SMILES for 5-[(4-methoxyphenyl)carbamoylamino]-2-[4-(2-methoxyphenyl)piperazin-1-yl]-N-(2-morpholin-4-ylethyl)benzamide is COc1ccc(NC(=O)Nc2ccc(N3CCN(c4ccccc4OC)CC3)c(C(=O)NCCN3CCOCC3)c2)cc1.

What is the InChIKey of 5-[(4-methoxyphenyl)carbamoylamino]-2-[4-(2-methoxyphenyl)piperazin-1-yl]-N-(2-morpholin-4-ylethyl)benzamide?

The InChIKey is AWDKYWTVXZMANM-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H40N6O5/c1-41-26-10-7-24(8-11-26)34-32(40)35-25-9-12-28(27(23-25)31(39)33-13-14-36-19-21-43-22-20-36)37-15-17-38(18-16-37)29-5-3-4-6-30(29)42-2/h3-12,23H,13-22H2,1-2H3,(H,33,39)(H2,34,35,40).

What are the key properties of 5-[(4-methoxyphenyl)carbamoylamino]-2-[4-(2-methoxyphenyl)piperazin-1-yl]-N-(2-morpholin-4-ylethyl)benzamide?

5-[(4-methoxyphenyl)carbamoylamino]-2-[4-(2-methoxyphenyl)piperazin-1-yl]-N-(2-morpholin-4-ylethyl)benzamide has a molecular weight of 588.71 g/mol, XLogP of 3.74, 10 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[(4-methoxyphenyl)carbamoylamino]-2-[4-(2-methoxyphenyl)piperazin-1-yl]-N-(2-morpholin-4-ylethyl)benzamide is sourced from PubChem (CID 1064693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).