N-[1-[[(3S)-1,2-dioxo-1-[[(1S)-2-oxocyclohexyl]amino]heptan-3-yl]carbamoyl]cyclohexyl]morpholine-4-carboxamide;N-[1-[[(2S,3S)-2-hydroxy-1-[[(1S,2S)-2-hydroxycyclohexyl]amino]-1-oxoheptan-3-yl]carbamoyl]cyclohexyl]morpholine-4-carboxamide

C50H84N8O12 — CID 162015679

About N-[1-[[(3S)-1,2-dioxo-1-[[(1S)-2-oxocyclohexyl]amino]heptan-3-yl]carbamoyl]cyclohexyl]morpholine-4-carboxamide;N-[1-[[(2S,3S)-2-hydroxy-1-[[(1S,2S)-2-hydroxycyclohexyl]amino]-1-oxoheptan-3-yl]carbamoyl]cyclohexyl]morpholine-4-carboxamide

N-[1-[[(3S)-1,2-dioxo-1-[[(1S)-2-oxocyclohexyl]amino]heptan-3-yl]carbamoyl]cyclohexyl]morpholine-4-carboxamide;N-[1-[[(2S,3S)-2-hydroxy-1-[[(1S,2S)-2-hydroxycyclohexyl]amino]-1-oxoheptan-3-yl]carbamoyl]cyclohexyl]morpholine-4-carboxamide (PubChem CID 162015679) has the molecular formula C50H84N8O12 and a molecular weight of 989.27 g/mol. Its IUPAC name is N-[1-[[(3S)-1,2-dioxo-1-[[(1S)-2-oxocyclohexyl]amino]heptan-3-yl]carbamoyl]cyclohexyl]morpholine-4-carboxamide;N-[1-[[(2S,3S)-2-hydroxy-1-[[(1S,2S)-2-hydroxycyclohexyl]amino]-1-oxoheptan-3-yl]carbamoyl]cyclohexyl]morpholine-4-carboxamide.

Molecular Properties

• Compound Name: N-[1-[[(3S)-1,2-dioxo-1-[[(1S)-2-oxocyclohexyl]amino]heptan-3-yl]carbamoyl]cyclohexyl]morpholine-4-carboxamide;N-[1-[[(2S,3S)-2-hydroxy-1-[[(1S,2S)-2-hydroxycyclohexyl]amino]-1-oxoheptan-3-yl]carbamoyl]cyclohexyl]morpholine-4-carboxamide
• PubChem CID: 162015679
• Molecular Formula: C50H84N8O12
• Molecular Weight: 989.27 g/mol
• Exact Mass: 988.62
• IUPAC Name: N-[1-[[(3S)-1,2-dioxo-1-[[(1S)-2-oxocyclohexyl]amino]heptan-3-yl]carbamoyl]cyclohexyl]morpholine-4-carboxamide;N-[1-[[(2S,3S)-2-hydroxy-1-[[(1S,2S)-2-hydroxycyclohexyl]amino]-1-oxoheptan-3-yl]carbamoyl]cyclohexyl]morpholine-4-carboxamide
• SMILES: CCCC[C@H](NC(=O)C1(NC(=O)N2CCOCC2)CCCCC1)C(=O)C(=O)N[C@H]1CCCCC1=O.CCCC[C@H](NC(=O)C1(NC(=O)N2CCOCC2)CCCCC1)[C@H](O)C(=O)N[C@H]1CCCC[C@@H]1O
• InChI: InChI=1S/C25H44N4O6.C25H40N4O6/c2*1-2-3-9-19(21(31)22(32)26-18-10-5-6-11-20(18)30)27-23(33)25(12-7-4-8-13-25)28-24(34)29-14-16-35-17-15-29/h18-21,30-31H,2-17H2,1H3,(H,26,32)(H,27,33)(H,28,34);18-19H,2-17H2,1H3,(H,26,32)(H,27,33)(H,28,34)/t18-,19-,20-,21-;18-,19-/m00/s1
• InChIKey: YUBOGYLHSGSAKK-VDSZRNGKSA-N
• XLogP: 2.79
• TPSA: 274.14 Ų
• H-Bond Donors: 8
• H-Bond Acceptors: 12
• Rotatable Bonds: 18
• Heavy Atoms: 70
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	989.27
LogP ≤ 5	2.79
H-Bond Donors ≤ 5	8
H-Bond Acceptors ≤ 10	12

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'diketo_group', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-[1-[[(3S)-1,2-dioxo-1-[[(1S)-2-oxocyclohexyl]amino]heptan-3-yl]carbamoyl]cyclohexyl]morpholine-4-carboxamide;N-[1-[[(2S,3S)-2-hydroxy-1-[[(1S,2S)-2-hydroxycyclohexyl]amino]-1-oxoheptan-3-yl]carbamoyl]cyclohexyl]morpholine-4-carboxamide?

The IUPAC name of N-[1-[[(3S)-1,2-dioxo-1-[[(1S)-2-oxocyclohexyl]amino]heptan-3-yl]carbamoyl]cyclohexyl]morpholine-4-carboxamide;N-[1-[[(2S,3S)-2-hydroxy-1-[[(1S,2S)-2-hydroxycyclohexyl]amino]-1-oxoheptan-3-yl]carbamoyl]cyclohexyl]morpholine-4-carboxamide (CID 162015679) is N-[1-[[(3S)-1,2-dioxo-1-[[(1S)-2-oxocyclohexyl]amino]heptan-3-yl]carbamoyl]cyclohexyl]morpholine-4-carboxamide;N-[1-[[(2S,3S)-2-hydroxy-1-[[(1S,2S)-2-hydroxycyclohexyl]amino]-1-oxoheptan-3-yl]carbamoyl]cyclohexyl]morpholine-4-carboxamide.

What is the SMILES notation for N-[1-[[(3S)-1,2-dioxo-1-[[(1S)-2-oxocyclohexyl]amino]heptan-3-yl]carbamoyl]cyclohexyl]morpholine-4-carboxamide;N-[1-[[(2S,3S)-2-hydroxy-1-[[(1S,2S)-2-hydroxycyclohexyl]amino]-1-oxoheptan-3-yl]carbamoyl]cyclohexyl]morpholine-4-carboxamide?

The canonical SMILES for N-[1-[[(3S)-1,2-dioxo-1-[[(1S)-2-oxocyclohexyl]amino]heptan-3-yl]carbamoyl]cyclohexyl]morpholine-4-carboxamide;N-[1-[[(2S,3S)-2-hydroxy-1-[[(1S,2S)-2-hydroxycyclohexyl]amino]-1-oxoheptan-3-yl]carbamoyl]cyclohexyl]morpholine-4-carboxamide is CCCC[C@H](NC(=O)C1(NC(=O)N2CCOCC2)CCCCC1)C(=O)C(=O)N[C@H]1CCCCC1=O.CCCC[C@H](NC(=O)C1(NC(=O)N2CCOCC2)CCCCC1)[C@H](O)C(=O)N[C@H]1CCCC[C@@H]1O.

What is the InChIKey of N-[1-[[(3S)-1,2-dioxo-1-[[(1S)-2-oxocyclohexyl]amino]heptan-3-yl]carbamoyl]cyclohexyl]morpholine-4-carboxamide;N-[1-[[(2S,3S)-2-hydroxy-1-[[(1S,2S)-2-hydroxycyclohexyl]amino]-1-oxoheptan-3-yl]carbamoyl]cyclohexyl]morpholine-4-carboxamide?

The InChIKey is YUBOGYLHSGSAKK-VDSZRNGKSA-N. The full InChI is InChI=1S/C25H44N4O6.C25H40N4O6/c2*1-2-3-9-19(21(31)22(32)26-18-10-5-6-11-20(18)30)27-23(33)25(12-7-4-8-13-25)28-24(34)29-14-16-35-17-15-29/h18-21,30-31H,2-17H2,1H3,(H,26,32)(H,27,33)(H,28,34);18-19H,2-17H2,1H3,(H,26,32)(H,27,33)(H,28,34)/t18-,19-,20-,21-;18-,19-/m00/s1.

What are the key properties of N-[1-[[(3S)-1,2-dioxo-1-[[(1S)-2-oxocyclohexyl]amino]heptan-3-yl]carbamoyl]cyclohexyl]morpholine-4-carboxamide;N-[1-[[(2S,3S)-2-hydroxy-1-[[(1S,2S)-2-hydroxycyclohexyl]amino]-1-oxoheptan-3-yl]carbamoyl]cyclohexyl]morpholine-4-carboxamide?

N-[1-[[(3S)-1,2-dioxo-1-[[(1S)-2-oxocyclohexyl]amino]heptan-3-yl]carbamoyl]cyclohexyl]morpholine-4-carboxamide;N-[1-[[(2S,3S)-2-hydroxy-1-[[(1S,2S)-2-hydroxycyclohexyl]amino]-1-oxoheptan-3-yl]carbamoyl]cyclohexyl]morpholine-4-carboxamide has a molecular weight of 989.27 g/mol, XLogP of 2.79, 18 rotatable bonds, 8 hydrogen bond donors, and 12 hydrogen bond acceptors.

Where does this data come from?

All data for N-[1-[[(3S)-1,2-dioxo-1-[[(1S)-2-oxocyclohexyl]amino]heptan-3-yl]carbamoyl]cyclohexyl]morpholine-4-carboxamide;N-[1-[[(2S,3S)-2-hydroxy-1-[[(1S,2S)-2-hydroxycyclohexyl]amino]-1-oxoheptan-3-yl]carbamoyl]cyclohexyl]morpholine-4-carboxamide is sourced from PubChem (CID 162015679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).