N-[2-(3-methoxyphenyl)ethyl]-6-[4-(2-oxopyrrolidin-1-yl)benzoyl]-6-azaspiro[2.5]octane-2-carboxamide

C28H33N3O4 — CID 45249710

About N-[2-(3-methoxyphenyl)ethyl]-6-[4-(2-oxopyrrolidin-1-yl)benzoyl]-6-azaspiro[2.5]octane-2-carboxamide

N-[2-(3-methoxyphenyl)ethyl]-6-[4-(2-oxopyrrolidin-1-yl)benzoyl]-6-azaspiro[2.5]octane-2-carboxamide (PubChem CID 45249710) has the molecular formula C28H33N3O4 and a molecular weight of 475.59 g/mol. Its IUPAC name is N-[2-(3-methoxyphenyl)ethyl]-6-[4-(2-oxopyrrolidin-1-yl)benzoyl]-6-azaspiro[2.5]octane-2-carboxamide.

Molecular Properties

• Compound Name: N-[2-(3-methoxyphenyl)ethyl]-6-[4-(2-oxopyrrolidin-1-yl)benzoyl]-6-azaspiro[2.5]octane-2-carboxamide
• PubChem CID: 45249710
• Molecular Formula: C28H33N3O4
• Molecular Weight: 475.59 g/mol
• Exact Mass: 475.25
• IUPAC Name: N-[2-(3-methoxyphenyl)ethyl]-6-[4-(2-oxopyrrolidin-1-yl)benzoyl]-6-azaspiro[2.5]octane-2-carboxamide
• SMILES: COc1cccc(CCNC(=O)C2CC23CCN(C(=O)c2ccc(N4CCCC4=O)cc2)CC3)c1
• InChI: InChI=1S/C28H33N3O4/c1-35-23-5-2-4-20(18-23)11-14-29-26(33)24-19-28(24)12-16-30(17-13-28)27(34)21-7-9-22(10-8-21)31-15-3-6-25(31)32/h2,4-5,7-10,18,24H,3,6,11-17,19H2,1H3,(H,29,33)
• InChIKey: LYTFWQRXEXSGBD-UHFFFAOYSA-N
• XLogP: 3.42
• TPSA: 78.95 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 7
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	475.59
LogP ≤ 5	3.42
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of N-[2-(3-methoxyphenyl)ethyl]-6-[4-(2-oxopyrrolidin-1-yl)benzoyl]-6-azaspiro[2.5]octane-2-carboxamide?

The IUPAC name of N-[2-(3-methoxyphenyl)ethyl]-6-[4-(2-oxopyrrolidin-1-yl)benzoyl]-6-azaspiro[2.5]octane-2-carboxamide (CID 45249710) is N-[2-(3-methoxyphenyl)ethyl]-6-[4-(2-oxopyrrolidin-1-yl)benzoyl]-6-azaspiro[2.5]octane-2-carboxamide.

What is the SMILES notation for N-[2-(3-methoxyphenyl)ethyl]-6-[4-(2-oxopyrrolidin-1-yl)benzoyl]-6-azaspiro[2.5]octane-2-carboxamide?

The canonical SMILES for N-[2-(3-methoxyphenyl)ethyl]-6-[4-(2-oxopyrrolidin-1-yl)benzoyl]-6-azaspiro[2.5]octane-2-carboxamide is COc1cccc(CCNC(=O)C2CC23CCN(C(=O)c2ccc(N4CCCC4=O)cc2)CC3)c1.

What is the InChIKey of N-[2-(3-methoxyphenyl)ethyl]-6-[4-(2-oxopyrrolidin-1-yl)benzoyl]-6-azaspiro[2.5]octane-2-carboxamide?

The InChIKey is LYTFWQRXEXSGBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H33N3O4/c1-35-23-5-2-4-20(18-23)11-14-29-26(33)24-19-28(24)12-16-30(17-13-28)27(34)21-7-9-22(10-8-21)31-15-3-6-25(31)32/h2,4-5,7-10,18,24H,3,6,11-17,19H2,1H3,(H,29,33).

What are the key properties of N-[2-(3-methoxyphenyl)ethyl]-6-[4-(2-oxopyrrolidin-1-yl)benzoyl]-6-azaspiro[2.5]octane-2-carboxamide?

N-[2-(3-methoxyphenyl)ethyl]-6-[4-(2-oxopyrrolidin-1-yl)benzoyl]-6-azaspiro[2.5]octane-2-carboxamide has a molecular weight of 475.59 g/mol, XLogP of 3.42, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2-(3-methoxyphenyl)ethyl]-6-[4-(2-oxopyrrolidin-1-yl)benzoyl]-6-azaspiro[2.5]octane-2-carboxamide is sourced from PubChem (CID 45249710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).