2-[ethyl-[2-oxo-2-(propan-2-ylamino)ethyl]amino]-N-[(1-morpholin-4-ylcyclohexyl)methyl]acetamide

C20H38N4O3 — CID 51223648

About 2-[ethyl-[2-oxo-2-(propan-2-ylamino)ethyl]amino]-N-[(1-morpholin-4-ylcyclohexyl)methyl]acetamide

2-[ethyl-[2-oxo-2-(propan-2-ylamino)ethyl]amino]-N-[(1-morpholin-4-ylcyclohexyl)methyl]acetamide (PubChem CID 51223648) has the molecular formula C20H38N4O3 and a molecular weight of 382.55 g/mol. Its IUPAC name is 2-[ethyl-[2-oxo-2-(propan-2-ylamino)ethyl]amino]-N-[(1-morpholin-4-ylcyclohexyl)methyl]acetamide.

Molecular Properties

• Compound Name: 2-[ethyl-[2-oxo-2-(propan-2-ylamino)ethyl]amino]-N-[(1-morpholin-4-ylcyclohexyl)methyl]acetamide
• PubChem CID: 51223648
• Molecular Formula: C20H38N4O3
• Molecular Weight: 382.55 g/mol
• Exact Mass: 382.29
• IUPAC Name: 2-[ethyl-[2-oxo-2-(propan-2-ylamino)ethyl]amino]-N-[(1-morpholin-4-ylcyclohexyl)methyl]acetamide
• SMILES: CCN(CC(=O)NCC1(N2CCOCC2)CCCCC1)CC(=O)NC(C)C
• InChI: InChI=1S/C20H38N4O3/c1-4-23(15-19(26)22-17(2)3)14-18(25)21-16-20(8-6-5-7-9-20)24-10-12-27-13-11-24/h17H,4-16H2,1-3H3,(H,21,25)(H,22,26)
• InChIKey: UERGFTDDBLDIAT-UHFFFAOYSA-N
• XLogP: 0.98
• TPSA: 73.91 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 9
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	382.55
LogP ≤ 5	0.98
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 2-[ethyl-[2-oxo-2-(propan-2-ylamino)ethyl]amino]-N-[(1-morpholin-4-ylcyclohexyl)methyl]acetamide?

The IUPAC name of 2-[ethyl-[2-oxo-2-(propan-2-ylamino)ethyl]amino]-N-[(1-morpholin-4-ylcyclohexyl)methyl]acetamide (CID 51223648) is 2-[ethyl-[2-oxo-2-(propan-2-ylamino)ethyl]amino]-N-[(1-morpholin-4-ylcyclohexyl)methyl]acetamide.

What is the SMILES notation for 2-[ethyl-[2-oxo-2-(propan-2-ylamino)ethyl]amino]-N-[(1-morpholin-4-ylcyclohexyl)methyl]acetamide?

The canonical SMILES for 2-[ethyl-[2-oxo-2-(propan-2-ylamino)ethyl]amino]-N-[(1-morpholin-4-ylcyclohexyl)methyl]acetamide is CCN(CC(=O)NCC1(N2CCOCC2)CCCCC1)CC(=O)NC(C)C.

What is the InChIKey of 2-[ethyl-[2-oxo-2-(propan-2-ylamino)ethyl]amino]-N-[(1-morpholin-4-ylcyclohexyl)methyl]acetamide?

The InChIKey is UERGFTDDBLDIAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H38N4O3/c1-4-23(15-19(26)22-17(2)3)14-18(25)21-16-20(8-6-5-7-9-20)24-10-12-27-13-11-24/h17H,4-16H2,1-3H3,(H,21,25)(H,22,26).

What are the key properties of 2-[ethyl-[2-oxo-2-(propan-2-ylamino)ethyl]amino]-N-[(1-morpholin-4-ylcyclohexyl)methyl]acetamide?

2-[ethyl-[2-oxo-2-(propan-2-ylamino)ethyl]amino]-N-[(1-morpholin-4-ylcyclohexyl)methyl]acetamide has a molecular weight of 382.55 g/mol, XLogP of 0.98, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[ethyl-[2-oxo-2-(propan-2-ylamino)ethyl]amino]-N-[(1-morpholin-4-ylcyclohexyl)methyl]acetamide is sourced from PubChem (CID 51223648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).