N-(5-tert-butyl-2-methoxy-3-methylphenyl)-2-[4-(2-morpholin-4-ylethoxy)naphthalen-1-yl]-2-nitrosoacetamide

C30H37N3O5 — CID 90812283

About N-(5-tert-butyl-2-methoxy-3-methylphenyl)-2-[4-(2-morpholin-4-ylethoxy)naphthalen-1-yl]-2-nitrosoacetamide

N-(5-tert-butyl-2-methoxy-3-methylphenyl)-2-[4-(2-morpholin-4-ylethoxy)naphthalen-1-yl]-2-nitrosoacetamide (PubChem CID 90812283) has the molecular formula C30H37N3O5 and a molecular weight of 519.64 g/mol. Its IUPAC name is N-(5-tert-butyl-2-methoxy-3-methylphenyl)-2-[4-(2-morpholin-4-ylethoxy)naphthalen-1-yl]-2-nitrosoacetamide.

Molecular Properties

• Compound Name: N-(5-tert-butyl-2-methoxy-3-methylphenyl)-2-[4-(2-morpholin-4-ylethoxy)naphthalen-1-yl]-2-nitrosoacetamide
• PubChem CID: 90812283
• Molecular Formula: C30H37N3O5
• Molecular Weight: 519.64 g/mol
• Exact Mass: 519.27
• IUPAC Name: N-(5-tert-butyl-2-methoxy-3-methylphenyl)-2-[4-(2-morpholin-4-ylethoxy)naphthalen-1-yl]-2-nitrosoacetamide
• SMILES: COc1c(C)cc(C(C)(C)C)cc1NC(=O)C(N=O)c1ccc(OCCN2CCOCC2)c2ccccc12
• InChI: InChI=1S/C30H37N3O5/c1-20-18-21(30(2,3)4)19-25(28(20)36-5)31-29(34)27(32-35)24-10-11-26(23-9-7-6-8-22(23)24)38-17-14-33-12-15-37-16-13-33/h6-11,18-19,27H,12-17H2,1-5H3,(H,31,34)
• InChIKey: KEVVGNAUCIOYPC-UHFFFAOYSA-N
• XLogP: 5.61
• TPSA: 89.46 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 9
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	519.64
LogP ≤ 5	5.61
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of N-(5-tert-butyl-2-methoxy-3-methylphenyl)-2-[4-(2-morpholin-4-ylethoxy)naphthalen-1-yl]-2-nitrosoacetamide?

The IUPAC name of N-(5-tert-butyl-2-methoxy-3-methylphenyl)-2-[4-(2-morpholin-4-ylethoxy)naphthalen-1-yl]-2-nitrosoacetamide (CID 90812283) is N-(5-tert-butyl-2-methoxy-3-methylphenyl)-2-[4-(2-morpholin-4-ylethoxy)naphthalen-1-yl]-2-nitrosoacetamide.

What is the SMILES notation for N-(5-tert-butyl-2-methoxy-3-methylphenyl)-2-[4-(2-morpholin-4-ylethoxy)naphthalen-1-yl]-2-nitrosoacetamide?

The canonical SMILES for N-(5-tert-butyl-2-methoxy-3-methylphenyl)-2-[4-(2-morpholin-4-ylethoxy)naphthalen-1-yl]-2-nitrosoacetamide is COc1c(C)cc(C(C)(C)C)cc1NC(=O)C(N=O)c1ccc(OCCN2CCOCC2)c2ccccc12.

What is the InChIKey of N-(5-tert-butyl-2-methoxy-3-methylphenyl)-2-[4-(2-morpholin-4-ylethoxy)naphthalen-1-yl]-2-nitrosoacetamide?

The InChIKey is KEVVGNAUCIOYPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H37N3O5/c1-20-18-21(30(2,3)4)19-25(28(20)36-5)31-29(34)27(32-35)24-10-11-26(23-9-7-6-8-22(23)24)38-17-14-33-12-15-37-16-13-33/h6-11,18-19,27H,12-17H2,1-5H3,(H,31,34).

What are the key properties of N-(5-tert-butyl-2-methoxy-3-methylphenyl)-2-[4-(2-morpholin-4-ylethoxy)naphthalen-1-yl]-2-nitrosoacetamide?

N-(5-tert-butyl-2-methoxy-3-methylphenyl)-2-[4-(2-morpholin-4-ylethoxy)naphthalen-1-yl]-2-nitrosoacetamide has a molecular weight of 519.64 g/mol, XLogP of 5.61, 9 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-(5-tert-butyl-2-methoxy-3-methylphenyl)-2-[4-(2-morpholin-4-ylethoxy)naphthalen-1-yl]-2-nitrosoacetamide is sourced from PubChem (CID 90812283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).