N-[1-[[3-cyclohexyl-1-(3-ethyl-2-oxo-1,3-oxazolidin-5-yl)-1-hydroxypropan-2-yl]amino]-3-(1H-imidazol-5-yl)-1-oxopropan-2-yl]-2-[[2-(2-methoxyethoxymethoxy)ethyl-methylcarbamoyl]amino]-3-(4-methoxyphenyl)propanamide

C38H59N7O10 — CID 23277742

About N-[1-[[3-cyclohexyl-1-(3-ethyl-2-oxo-1,3-oxazolidin-5-yl)-1-hydroxypropan-2-yl]amino]-3-(1H-imidazol-5-yl)-1-oxopropan-2-yl]-2-[[2-(2-methoxyethoxymethoxy)ethyl-methylcarbamoyl]amino]-3-(4-methoxyphenyl)propanamide

N-[1-[[3-cyclohexyl-1-(3-ethyl-2-oxo-1,3-oxazolidin-5-yl)-1-hydroxypropan-2-yl]amino]-3-(1H-imidazol-5-yl)-1-oxopropan-2-yl]-2-[[2-(2-methoxyethoxymethoxy)ethyl-methylcarbamoyl]amino]-3-(4-methoxyphenyl)propanamide (PubChem CID 23277742) has the molecular formula C38H59N7O10 and a molecular weight of 773.93 g/mol. Its IUPAC name is N-[1-[[3-cyclohexyl-1-(3-ethyl-2-oxo-1,3-oxazolidin-5-yl)-1-hydroxypropan-2-yl]amino]-3-(1H-imidazol-5-yl)-1-oxopropan-2-yl]-2-[[2-(2-methoxyethoxymethoxy)ethyl-methylcarbamoyl]amino]-3-(4-methoxyphenyl)propanamide.

Molecular Properties

• Compound Name: N-[1-[[3-cyclohexyl-1-(3-ethyl-2-oxo-1,3-oxazolidin-5-yl)-1-hydroxypropan-2-yl]amino]-3-(1H-imidazol-5-yl)-1-oxopropan-2-yl]-2-[[2-(2-methoxyethoxymethoxy)ethyl-methylcarbamoyl]amino]-3-(4-methoxyphenyl)propanamide
• PubChem CID: 23277742
• Molecular Formula: C38H59N7O10
• Molecular Weight: 773.93 g/mol
• Exact Mass: 773.43
• IUPAC Name: N-[1-[[3-cyclohexyl-1-(3-ethyl-2-oxo-1,3-oxazolidin-5-yl)-1-hydroxypropan-2-yl]amino]-3-(1H-imidazol-5-yl)-1-oxopropan-2-yl]-2-[[2-(2-methoxyethoxymethoxy)ethyl-methylcarbamoyl]amino]-3-(4-methoxyphenyl)propanamide
• SMILES: CCN1CC(C(O)C(CC2CCCCC2)NC(=O)C(Cc2cnc[nH]2)NC(=O)C(Cc2ccc(OC)cc2)NC(=O)N(C)CCOCOCCOC)OC1=O
• InChI: InChI=1S/C38H59N7O10/c1-5-45-23-33(55-38(45)50)34(46)30(19-26-9-7-6-8-10-26)41-36(48)32(21-28-22-39-24-40-28)42-35(47)31(20-27-11-13-29(52-4)14-12-27)43-37(49)44(2)15-16-53-25-54-18-17-51-3/h11-14,22,24,26,30-34,46H,5-10,15-21,23,25H2,1-4H3,(H,39,40)(H,41,48)(H,42,47)(H,43,49)
• InChIKey: IWTUMTQOIIHVQC-UHFFFAOYSA-N
• XLogP: 1.99
• TPSA: 205.91 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 11
• Rotatable Bonds: 23
• Heavy Atoms: 55
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	773.93
LogP ≤ 5	1.99
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	11

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-[1-[[3-cyclohexyl-1-(3-ethyl-2-oxo-1,3-oxazolidin-5-yl)-1-hydroxypropan-2-yl]amino]-3-(1H-imidazol-5-yl)-1-oxopropan-2-yl]-2-[[2-(2-methoxyethoxymethoxy)ethyl-methylcarbamoyl]amino]-3-(4-methoxyphenyl)propanamide?

The IUPAC name of N-[1-[[3-cyclohexyl-1-(3-ethyl-2-oxo-1,3-oxazolidin-5-yl)-1-hydroxypropan-2-yl]amino]-3-(1H-imidazol-5-yl)-1-oxopropan-2-yl]-2-[[2-(2-methoxyethoxymethoxy)ethyl-methylcarbamoyl]amino]-3-(4-methoxyphenyl)propanamide (CID 23277742) is N-[1-[[3-cyclohexyl-1-(3-ethyl-2-oxo-1,3-oxazolidin-5-yl)-1-hydroxypropan-2-yl]amino]-3-(1H-imidazol-5-yl)-1-oxopropan-2-yl]-2-[[2-(2-methoxyethoxymethoxy)ethyl-methylcarbamoyl]amino]-3-(4-methoxyphenyl)propanamide.

What is the SMILES notation for N-[1-[[3-cyclohexyl-1-(3-ethyl-2-oxo-1,3-oxazolidin-5-yl)-1-hydroxypropan-2-yl]amino]-3-(1H-imidazol-5-yl)-1-oxopropan-2-yl]-2-[[2-(2-methoxyethoxymethoxy)ethyl-methylcarbamoyl]amino]-3-(4-methoxyphenyl)propanamide?

The canonical SMILES for N-[1-[[3-cyclohexyl-1-(3-ethyl-2-oxo-1,3-oxazolidin-5-yl)-1-hydroxypropan-2-yl]amino]-3-(1H-imidazol-5-yl)-1-oxopropan-2-yl]-2-[[2-(2-methoxyethoxymethoxy)ethyl-methylcarbamoyl]amino]-3-(4-methoxyphenyl)propanamide is CCN1CC(C(O)C(CC2CCCCC2)NC(=O)C(Cc2cnc[nH]2)NC(=O)C(Cc2ccc(OC)cc2)NC(=O)N(C)CCOCOCCOC)OC1=O.

What is the InChIKey of N-[1-[[3-cyclohexyl-1-(3-ethyl-2-oxo-1,3-oxazolidin-5-yl)-1-hydroxypropan-2-yl]amino]-3-(1H-imidazol-5-yl)-1-oxopropan-2-yl]-2-[[2-(2-methoxyethoxymethoxy)ethyl-methylcarbamoyl]amino]-3-(4-methoxyphenyl)propanamide?

The InChIKey is IWTUMTQOIIHVQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H59N7O10/c1-5-45-23-33(55-38(45)50)34(46)30(19-26-9-7-6-8-10-26)41-36(48)32(21-28-22-39-24-40-28)42-35(47)31(20-27-11-13-29(52-4)14-12-27)43-37(49)44(2)15-16-53-25-54-18-17-51-3/h11-14,22,24,26,30-34,46H,5-10,15-21,23,25H2,1-4H3,(H,39,40)(H,41,48)(H,42,47)(H,43,49).

What are the key properties of N-[1-[[3-cyclohexyl-1-(3-ethyl-2-oxo-1,3-oxazolidin-5-yl)-1-hydroxypropan-2-yl]amino]-3-(1H-imidazol-5-yl)-1-oxopropan-2-yl]-2-[[2-(2-methoxyethoxymethoxy)ethyl-methylcarbamoyl]amino]-3-(4-methoxyphenyl)propanamide?

N-[1-[[3-cyclohexyl-1-(3-ethyl-2-oxo-1,3-oxazolidin-5-yl)-1-hydroxypropan-2-yl]amino]-3-(1H-imidazol-5-yl)-1-oxopropan-2-yl]-2-[[2-(2-methoxyethoxymethoxy)ethyl-methylcarbamoyl]amino]-3-(4-methoxyphenyl)propanamide has a molecular weight of 773.93 g/mol, XLogP of 1.99, 23 rotatable bonds, 5 hydrogen bond donors, and 11 hydrogen bond acceptors.

Where does this data come from?

All data for N-[1-[[3-cyclohexyl-1-(3-ethyl-2-oxo-1,3-oxazolidin-5-yl)-1-hydroxypropan-2-yl]amino]-3-(1H-imidazol-5-yl)-1-oxopropan-2-yl]-2-[[2-(2-methoxyethoxymethoxy)ethyl-methylcarbamoyl]amino]-3-(4-methoxyphenyl)propanamide is sourced from PubChem (CID 23277742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).