(2R)-N-(2,5-dimethylphenyl)-2-[(15S,19S)-16,18-dioxo-17-azapentacyclo[6.6.5.02,7.09,14.015,19]nonadeca-2,4,6,9,11,13-hexaen-17-yl]hexanamide

C32H32N2O3 — CID 40966821

About (2R)-N-(2,5-dimethylphenyl)-2-[(15S,19S)-16,18-dioxo-17-azapentacyclo[6.6.5.02,7.09,14.015,19]nonadeca-2,4,6,9,11,13-hexaen-17-yl]hexanamide

(2R)-N-(2,5-dimethylphenyl)-2-[(15S,19S)-16,18-dioxo-17-azapentacyclo[6.6.5.02,7.09,14.015,19]nonadeca-2,4,6,9,11,13-hexaen-17-yl]hexanamide (PubChem CID 40966821) has the molecular formula C32H32N2O3 and a molecular weight of 492.62 g/mol. Its IUPAC name is (2R)-N-(2,5-dimethylphenyl)-2-[(15S,19S)-16,18-dioxo-17-azapentacyclo[6.6.5.02,7.09,14.015,19]nonadeca-2,4,6,9,11,13-hexaen-17-yl]hexanamide.

Molecular Properties

• Compound Name: (2R)-N-(2,5-dimethylphenyl)-2-[(15S,19S)-16,18-dioxo-17-azapentacyclo[6.6.5.02,7.09,14.015,19]nonadeca-2,4,6,9,11,13-hexaen-17-yl]hexanamide
• PubChem CID: 40966821
• Molecular Formula: C32H32N2O3
• Molecular Weight: 492.62 g/mol
• Exact Mass: 492.24
• IUPAC Name: (2R)-N-(2,5-dimethylphenyl)-2-[(15S,19S)-16,18-dioxo-17-azapentacyclo[6.6.5.02,7.09,14.015,19]nonadeca-2,4,6,9,11,13-hexaen-17-yl]hexanamide
• SMILES: CCCC[C@H](C(=O)Nc1cc(C)ccc1C)N1C(=O)[C@H]2C3c4ccccc4C(c4ccccc43)[C@@H]2C1=O
• InChI: InChI=1S/C32H32N2O3/c1-4-5-14-25(30(35)33-24-17-18(2)15-16-19(24)3)34-31(36)28-26-20-10-6-7-11-21(20)27(29(28)32(34)37)23-13-9-8-12-22(23)26/h6-13,15-17,25-29H,4-5,14H2,1-3H3,(H,33,35)/t25-,26?,27?,28+,29+/m1/s1
• InChIKey: XPXYADZVDSSRNE-FEBWRTIQSA-N
• XLogP: 5.69
• TPSA: 66.48 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 3
• Rotatable Bonds: 6
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	492.62
LogP ≤ 5	5.69
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	3

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of (2R)-N-(2,5-dimethylphenyl)-2-[(15S,19S)-16,18-dioxo-17-azapentacyclo[6.6.5.02,7.09,14.015,19]nonadeca-2,4,6,9,11,13-hexaen-17-yl]hexanamide?

The IUPAC name of (2R)-N-(2,5-dimethylphenyl)-2-[(15S,19S)-16,18-dioxo-17-azapentacyclo[6.6.5.02,7.09,14.015,19]nonadeca-2,4,6,9,11,13-hexaen-17-yl]hexanamide (CID 40966821) is (2R)-N-(2,5-dimethylphenyl)-2-[(15S,19S)-16,18-dioxo-17-azapentacyclo[6.6.5.02,7.09,14.015,19]nonadeca-2,4,6,9,11,13-hexaen-17-yl]hexanamide.

What is the SMILES notation for (2R)-N-(2,5-dimethylphenyl)-2-[(15S,19S)-16,18-dioxo-17-azapentacyclo[6.6.5.02,7.09,14.015,19]nonadeca-2,4,6,9,11,13-hexaen-17-yl]hexanamide?

The canonical SMILES for (2R)-N-(2,5-dimethylphenyl)-2-[(15S,19S)-16,18-dioxo-17-azapentacyclo[6.6.5.02,7.09,14.015,19]nonadeca-2,4,6,9,11,13-hexaen-17-yl]hexanamide is CCCC[C@H](C(=O)Nc1cc(C)ccc1C)N1C(=O)[C@H]2C3c4ccccc4C(c4ccccc43)[C@@H]2C1=O.

What is the InChIKey of (2R)-N-(2,5-dimethylphenyl)-2-[(15S,19S)-16,18-dioxo-17-azapentacyclo[6.6.5.02,7.09,14.015,19]nonadeca-2,4,6,9,11,13-hexaen-17-yl]hexanamide?

The InChIKey is XPXYADZVDSSRNE-FEBWRTIQSA-N. The full InChI is InChI=1S/C32H32N2O3/c1-4-5-14-25(30(35)33-24-17-18(2)15-16-19(24)3)34-31(36)28-26-20-10-6-7-11-21(20)27(29(28)32(34)37)23-13-9-8-12-22(23)26/h6-13,15-17,25-29H,4-5,14H2,1-3H3,(H,33,35)/t25-,26?,27?,28+,29+/m1/s1.

What are the key properties of (2R)-N-(2,5-dimethylphenyl)-2-[(15S,19S)-16,18-dioxo-17-azapentacyclo[6.6.5.02,7.09,14.015,19]nonadeca-2,4,6,9,11,13-hexaen-17-yl]hexanamide?

(2R)-N-(2,5-dimethylphenyl)-2-[(15S,19S)-16,18-dioxo-17-azapentacyclo[6.6.5.02,7.09,14.015,19]nonadeca-2,4,6,9,11,13-hexaen-17-yl]hexanamide has a molecular weight of 492.62 g/mol, XLogP of 5.69, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for (2R)-N-(2,5-dimethylphenyl)-2-[(15S,19S)-16,18-dioxo-17-azapentacyclo[6.6.5.02,7.09,14.015,19]nonadeca-2,4,6,9,11,13-hexaen-17-yl]hexanamide is sourced from PubChem (CID 40966821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).