5-(cyclohexylcarbamoylamino)-2-[4-(2-methoxyphenyl)piperazin-1-yl]-N-[[(2R)-oxolan-2-yl]methyl]benzamide

C30H41N5O4 — CID 1065756

About 5-(cyclohexylcarbamoylamino)-2-[4-(2-methoxyphenyl)piperazin-1-yl]-N-[[(2R)-oxolan-2-yl]methyl]benzamide

5-(cyclohexylcarbamoylamino)-2-[4-(2-methoxyphenyl)piperazin-1-yl]-N-[[(2R)-oxolan-2-yl]methyl]benzamide (PubChem CID 1065756) has the molecular formula C30H41N5O4 and a molecular weight of 535.69 g/mol. Its IUPAC name is 5-(cyclohexylcarbamoylamino)-2-[4-(2-methoxyphenyl)piperazin-1-yl]-N-[[(2R)-oxolan-2-yl]methyl]benzamide.

Molecular Properties

• Compound Name: 5-(cyclohexylcarbamoylamino)-2-[4-(2-methoxyphenyl)piperazin-1-yl]-N-[[(2R)-oxolan-2-yl]methyl]benzamide
• PubChem CID: 1065756
• Molecular Formula: C30H41N5O4
• Molecular Weight: 535.69 g/mol
• Exact Mass: 535.32
• IUPAC Name: 5-(cyclohexylcarbamoylamino)-2-[4-(2-methoxyphenyl)piperazin-1-yl]-N-[[(2R)-oxolan-2-yl]methyl]benzamide
• SMILES: COc1ccccc1N1CCN(c2ccc(NC(=O)NC3CCCCC3)cc2C(=O)NC[C@H]2CCCO2)CC1
• InChI: InChI=1S/C30H41N5O4/c1-38-28-12-6-5-11-27(28)35-17-15-34(16-18-35)26-14-13-23(33-30(37)32-22-8-3-2-4-9-22)20-25(26)29(36)31-21-24-10-7-19-39-24/h5-6,11-14,20,22,24H,2-4,7-10,15-19,21H2,1H3,(H,31,36)(H2,32,33,37)/t24-/m1/s1
• InChIKey: JLSXHZCMAWJSFR-XMMPIXPASA-N
• XLogP: 4.38
• TPSA: 95.17 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 6
• Rotatable Bonds: 8
• Heavy Atoms: 39
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	535.69
LogP ≤ 5	4.38
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	6

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-(cyclohexylcarbamoylamino)-2-[4-(2-methoxyphenyl)piperazin-1-yl]-N-[[(2R)-oxolan-2-yl]methyl]benzamide?

The IUPAC name of 5-(cyclohexylcarbamoylamino)-2-[4-(2-methoxyphenyl)piperazin-1-yl]-N-[[(2R)-oxolan-2-yl]methyl]benzamide (CID 1065756) is 5-(cyclohexylcarbamoylamino)-2-[4-(2-methoxyphenyl)piperazin-1-yl]-N-[[(2R)-oxolan-2-yl]methyl]benzamide.

What is the SMILES notation for 5-(cyclohexylcarbamoylamino)-2-[4-(2-methoxyphenyl)piperazin-1-yl]-N-[[(2R)-oxolan-2-yl]methyl]benzamide?

The canonical SMILES for 5-(cyclohexylcarbamoylamino)-2-[4-(2-methoxyphenyl)piperazin-1-yl]-N-[[(2R)-oxolan-2-yl]methyl]benzamide is COc1ccccc1N1CCN(c2ccc(NC(=O)NC3CCCCC3)cc2C(=O)NC[C@H]2CCCO2)CC1.

What is the InChIKey of 5-(cyclohexylcarbamoylamino)-2-[4-(2-methoxyphenyl)piperazin-1-yl]-N-[[(2R)-oxolan-2-yl]methyl]benzamide?

The InChIKey is JLSXHZCMAWJSFR-XMMPIXPASA-N. The full InChI is InChI=1S/C30H41N5O4/c1-38-28-12-6-5-11-27(28)35-17-15-34(16-18-35)26-14-13-23(33-30(37)32-22-8-3-2-4-9-22)20-25(26)29(36)31-21-24-10-7-19-39-24/h5-6,11-14,20,22,24H,2-4,7-10,15-19,21H2,1H3,(H,31,36)(H2,32,33,37)/t24-/m1/s1.

What are the key properties of 5-(cyclohexylcarbamoylamino)-2-[4-(2-methoxyphenyl)piperazin-1-yl]-N-[[(2R)-oxolan-2-yl]methyl]benzamide?

5-(cyclohexylcarbamoylamino)-2-[4-(2-methoxyphenyl)piperazin-1-yl]-N-[[(2R)-oxolan-2-yl]methyl]benzamide has a molecular weight of 535.69 g/mol, XLogP of 4.38, 8 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 5-(cyclohexylcarbamoylamino)-2-[4-(2-methoxyphenyl)piperazin-1-yl]-N-[[(2R)-oxolan-2-yl]methyl]benzamide is sourced from PubChem (CID 1065756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).