(1R,11S,12R,16R)-N-(4-methoxyphenyl)-14-naphthalen-2-yl-13,15-dioxo-10,14-diazatetracyclo[8.6.0.02,7.012,16]hexadeca-2,4,6,8-tetraene-11-carboxamide

C32H25N3O4 — CID 124774021

About (1R,11S,12R,16R)-N-(4-methoxyphenyl)-14-naphthalen-2-yl-13,15-dioxo-10,14-diazatetracyclo[8.6.0.02,7.012,16]hexadeca-2,4,6,8-tetraene-11-carboxamide

(1R,11S,12R,16R)-N-(4-methoxyphenyl)-14-naphthalen-2-yl-13,15-dioxo-10,14-diazatetracyclo[8.6.0.02,7.012,16]hexadeca-2,4,6,8-tetraene-11-carboxamide (PubChem CID 124774021) has the molecular formula C32H25N3O4 and a molecular weight of 515.57 g/mol. Its IUPAC name is (1R,11S,12R,16R)-N-(4-methoxyphenyl)-14-naphthalen-2-yl-13,15-dioxo-10,14-diazatetracyclo[8.6.0.02,7.012,16]hexadeca-2,4,6,8-tetraene-11-carboxamide.

Molecular Properties

• Compound Name: (1R,11S,12R,16R)-N-(4-methoxyphenyl)-14-naphthalen-2-yl-13,15-dioxo-10,14-diazatetracyclo[8.6.0.02,7.012,16]hexadeca-2,4,6,8-tetraene-11-carboxamide
• PubChem CID: 124774021
• Molecular Formula: C32H25N3O4
• Molecular Weight: 515.57 g/mol
• Exact Mass: 515.18
• IUPAC Name: (1R,11S,12R,16R)-N-(4-methoxyphenyl)-14-naphthalen-2-yl-13,15-dioxo-10,14-diazatetracyclo[8.6.0.02,7.012,16]hexadeca-2,4,6,8-tetraene-11-carboxamide
• SMILES: COc1ccc(NC(=O)[C@@H]2[C@@H]3C(=O)N(c4ccc5ccccc5c4)C(=O)[C@H]3[C@@H]3c4ccccc4C=CN23)cc1
• InChI: InChI=1S/C32H25N3O4/c1-39-24-14-11-22(12-15-24)33-30(36)29-27-26(28-25-9-5-4-7-20(25)16-17-34(28)29)31(37)35(32(27)38)23-13-10-19-6-2-3-8-21(19)18-23/h2-18,26-29H,1H3,(H,33,36)/t26-,27-,28+,29+/m1/s1
• InChIKey: UYLTVABUSBFZQN-GKQHHHCTSA-N
• XLogP: 5.00
• TPSA: 78.95 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 4
• Heavy Atoms: 39
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	515.57
LogP ≤ 5	5.00
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of (1R,11S,12R,16R)-N-(4-methoxyphenyl)-14-naphthalen-2-yl-13,15-dioxo-10,14-diazatetracyclo[8.6.0.02,7.012,16]hexadeca-2,4,6,8-tetraene-11-carboxamide?

The IUPAC name of (1R,11S,12R,16R)-N-(4-methoxyphenyl)-14-naphthalen-2-yl-13,15-dioxo-10,14-diazatetracyclo[8.6.0.02,7.012,16]hexadeca-2,4,6,8-tetraene-11-carboxamide (CID 124774021) is (1R,11S,12R,16R)-N-(4-methoxyphenyl)-14-naphthalen-2-yl-13,15-dioxo-10,14-diazatetracyclo[8.6.0.02,7.012,16]hexadeca-2,4,6,8-tetraene-11-carboxamide.

What is the SMILES notation for (1R,11S,12R,16R)-N-(4-methoxyphenyl)-14-naphthalen-2-yl-13,15-dioxo-10,14-diazatetracyclo[8.6.0.02,7.012,16]hexadeca-2,4,6,8-tetraene-11-carboxamide?

The canonical SMILES for (1R,11S,12R,16R)-N-(4-methoxyphenyl)-14-naphthalen-2-yl-13,15-dioxo-10,14-diazatetracyclo[8.6.0.02,7.012,16]hexadeca-2,4,6,8-tetraene-11-carboxamide is COc1ccc(NC(=O)[C@@H]2[C@@H]3C(=O)N(c4ccc5ccccc5c4)C(=O)[C@H]3[C@@H]3c4ccccc4C=CN23)cc1.

What is the InChIKey of (1R,11S,12R,16R)-N-(4-methoxyphenyl)-14-naphthalen-2-yl-13,15-dioxo-10,14-diazatetracyclo[8.6.0.02,7.012,16]hexadeca-2,4,6,8-tetraene-11-carboxamide?

The InChIKey is UYLTVABUSBFZQN-GKQHHHCTSA-N. The full InChI is InChI=1S/C32H25N3O4/c1-39-24-14-11-22(12-15-24)33-30(36)29-27-26(28-25-9-5-4-7-20(25)16-17-34(28)29)31(37)35(32(27)38)23-13-10-19-6-2-3-8-21(19)18-23/h2-18,26-29H,1H3,(H,33,36)/t26-,27-,28+,29+/m1/s1.

What are the key properties of (1R,11S,12R,16R)-N-(4-methoxyphenyl)-14-naphthalen-2-yl-13,15-dioxo-10,14-diazatetracyclo[8.6.0.02,7.012,16]hexadeca-2,4,6,8-tetraene-11-carboxamide?

(1R,11S,12R,16R)-N-(4-methoxyphenyl)-14-naphthalen-2-yl-13,15-dioxo-10,14-diazatetracyclo[8.6.0.02,7.012,16]hexadeca-2,4,6,8-tetraene-11-carboxamide has a molecular weight of 515.57 g/mol, XLogP of 5.00, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for (1R,11S,12R,16R)-N-(4-methoxyphenyl)-14-naphthalen-2-yl-13,15-dioxo-10,14-diazatetracyclo[8.6.0.02,7.012,16]hexadeca-2,4,6,8-tetraene-11-carboxamide is sourced from PubChem (CID 124774021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).