N-[[3-[[(1R)-cyclohex-3-en-1-yl]methoxy]phenyl]methyl]-3-(2-oxopyrrolidin-1-yl)-N-(pyridin-2-ylmethyl)benzamide

C31H33N3O3 — CID 26342132

About N-[[3-[[(1R)-cyclohex-3-en-1-yl]methoxy]phenyl]methyl]-3-(2-oxopyrrolidin-1-yl)-N-(pyridin-2-ylmethyl)benzamide

N-[[3-[[(1R)-cyclohex-3-en-1-yl]methoxy]phenyl]methyl]-3-(2-oxopyrrolidin-1-yl)-N-(pyridin-2-ylmethyl)benzamide (PubChem CID 26342132) has the molecular formula C31H33N3O3 and a molecular weight of 495.62 g/mol. Its IUPAC name is N-[[3-[[(1R)-cyclohex-3-en-1-yl]methoxy]phenyl]methyl]-3-(2-oxopyrrolidin-1-yl)-N-(pyridin-2-ylmethyl)benzamide.

Molecular Properties

• Compound Name: N-[[3-[[(1R)-cyclohex-3-en-1-yl]methoxy]phenyl]methyl]-3-(2-oxopyrrolidin-1-yl)-N-(pyridin-2-ylmethyl)benzamide
• PubChem CID: 26342132
• Molecular Formula: C31H33N3O3
• Molecular Weight: 495.62 g/mol
• Exact Mass: 495.25
• IUPAC Name: N-[[3-[[(1R)-cyclohex-3-en-1-yl]methoxy]phenyl]methyl]-3-(2-oxopyrrolidin-1-yl)-N-(pyridin-2-ylmethyl)benzamide
• SMILES: O=C(c1cccc(N2CCCC2=O)c1)N(Cc1cccc(OC[C@H]2CC=CCC2)c1)Cc1ccccn1
• InChI: InChI=1S/C31H33N3O3/c35-30-16-8-18-34(30)28-14-7-12-26(20-28)31(36)33(22-27-13-4-5-17-32-27)21-25-11-6-15-29(19-25)37-23-24-9-2-1-3-10-24/h1-2,4-7,11-15,17,19-20,24H,3,8-10,16,18,21-23H2/t24-/m0/s1
• InChIKey: UYNNMDFOKSZRIX-DEOSSOPVSA-N
• XLogP: 5.79
• TPSA: 62.74 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 9
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	495.62
LogP ≤ 5	5.79
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N-[[3-[[(1R)-cyclohex-3-en-1-yl]methoxy]phenyl]methyl]-3-(2-oxopyrrolidin-1-yl)-N-(pyridin-2-ylmethyl)benzamide?

The IUPAC name of N-[[3-[[(1R)-cyclohex-3-en-1-yl]methoxy]phenyl]methyl]-3-(2-oxopyrrolidin-1-yl)-N-(pyridin-2-ylmethyl)benzamide (CID 26342132) is N-[[3-[[(1R)-cyclohex-3-en-1-yl]methoxy]phenyl]methyl]-3-(2-oxopyrrolidin-1-yl)-N-(pyridin-2-ylmethyl)benzamide.

What is the SMILES notation for N-[[3-[[(1R)-cyclohex-3-en-1-yl]methoxy]phenyl]methyl]-3-(2-oxopyrrolidin-1-yl)-N-(pyridin-2-ylmethyl)benzamide?

The canonical SMILES for N-[[3-[[(1R)-cyclohex-3-en-1-yl]methoxy]phenyl]methyl]-3-(2-oxopyrrolidin-1-yl)-N-(pyridin-2-ylmethyl)benzamide is O=C(c1cccc(N2CCCC2=O)c1)N(Cc1cccc(OC[C@H]2CC=CCC2)c1)Cc1ccccn1.

What is the InChIKey of N-[[3-[[(1R)-cyclohex-3-en-1-yl]methoxy]phenyl]methyl]-3-(2-oxopyrrolidin-1-yl)-N-(pyridin-2-ylmethyl)benzamide?

The InChIKey is UYNNMDFOKSZRIX-DEOSSOPVSA-N. The full InChI is InChI=1S/C31H33N3O3/c35-30-16-8-18-34(30)28-14-7-12-26(20-28)31(36)33(22-27-13-4-5-17-32-27)21-25-11-6-15-29(19-25)37-23-24-9-2-1-3-10-24/h1-2,4-7,11-15,17,19-20,24H,3,8-10,16,18,21-23H2/t24-/m0/s1.

What are the key properties of N-[[3-[[(1R)-cyclohex-3-en-1-yl]methoxy]phenyl]methyl]-3-(2-oxopyrrolidin-1-yl)-N-(pyridin-2-ylmethyl)benzamide?

N-[[3-[[(1R)-cyclohex-3-en-1-yl]methoxy]phenyl]methyl]-3-(2-oxopyrrolidin-1-yl)-N-(pyridin-2-ylmethyl)benzamide has a molecular weight of 495.62 g/mol, XLogP of 5.79, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for N-[[3-[[(1R)-cyclohex-3-en-1-yl]methoxy]phenyl]methyl]-3-(2-oxopyrrolidin-1-yl)-N-(pyridin-2-ylmethyl)benzamide is sourced from PubChem (CID 26342132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).