N-[[(1R,13R,15R,16R)-15-cyano-5-hydroxy-22-(methoxymethoxy)-6,20,21,24-tetramethyl-8,10-dioxa-14,24-diazahexacyclo[14.7.1.02,14.04,12.07,11.018,23]tetracosa-4(12),5,7(11),18(23),19,21-hexaen-13-yl]methyl]-2-methylpropanamide

C32H40N4O6 — CID 58912483

About N-[[(1R,13R,15R,16R)-15-cyano-5-hydroxy-22-(methoxymethoxy)-6,20,21,24-tetramethyl-8,10-dioxa-14,24-diazahexacyclo[14.7.1.02,14.04,12.07,11.018,23]tetracosa-4(12),5,7(11),18(23),19,21-hexaen-13-yl]methyl]-2-methylpropanamide

N-[[(1R,13R,15R,16R)-15-cyano-5-hydroxy-22-(methoxymethoxy)-6,20,21,24-tetramethyl-8,10-dioxa-14,24-diazahexacyclo[14.7.1.02,14.04,12.07,11.018,23]tetracosa-4(12),5,7(11),18(23),19,21-hexaen-13-yl]methyl]-2-methylpropanamide (PubChem CID 58912483) has the molecular formula C32H40N4O6 and a molecular weight of 576.69 g/mol. Its IUPAC name is N-[[(1R,13R,15R,16R)-15-cyano-5-hydroxy-22-(methoxymethoxy)-6,20,21,24-tetramethyl-8,10-dioxa-14,24-diazahexacyclo[14.7.1.02,14.04,12.07,11.018,23]tetracosa-4(12),5,7(11),18(23),19,21-hexaen-13-yl]methyl]-2-methylpropanamide.

Molecular Properties

• Compound Name: N-[[(1R,13R,15R,16R)-15-cyano-5-hydroxy-22-(methoxymethoxy)-6,20,21,24-tetramethyl-8,10-dioxa-14,24-diazahexacyclo[14.7.1.02,14.04,12.07,11.018,23]tetracosa-4(12),5,7(11),18(23),19,21-hexaen-13-yl]methyl]-2-methylpropanamide
• PubChem CID: 58912483
• Molecular Formula: C32H40N4O6
• Molecular Weight: 576.69 g/mol
• Exact Mass: 576.29
• IUPAC Name: N-[[(1R,13R,15R,16R)-15-cyano-5-hydroxy-22-(methoxymethoxy)-6,20,21,24-tetramethyl-8,10-dioxa-14,24-diazahexacyclo[14.7.1.02,14.04,12.07,11.018,23]tetracosa-4(12),5,7(11),18(23),19,21-hexaen-13-yl]methyl]-2-methylpropanamide
• SMILES: COCOc1c(C)c(C)cc2c1[C@@H]1C3Cc4c(O)c(C)c5c(c4[C@H](CNC(=O)C(C)C)N3[C@@H](C#N)[C@@H](C2)N1C)OCO5
• InChI: InChI=1S/C32H40N4O6/c1-15(2)32(38)34-12-24-26-20(28(37)18(5)30-31(26)42-14-41-30)10-22-27-25-19(8-16(3)17(4)29(25)40-13-39-7)9-21(35(27)6)23(11-33)36(22)24/h8,15,21-24,27,37H,9-10,12-14H2,1-7H3,(H,34,38)/t21-,22?,23+,24+,27+/m1/s1
• InChIKey: VTVPLWBTASSNKM-MVMCFMLRSA-N
• XLogP: 3.57
• TPSA: 116.52 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 9
• Rotatable Bonds: 6
• Heavy Atoms: 42
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	576.69
LogP ≤ 5	3.57
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	9

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-[[(1R,13R,15R,16R)-15-cyano-5-hydroxy-22-(methoxymethoxy)-6,20,21,24-tetramethyl-8,10-dioxa-14,24-diazahexacyclo[14.7.1.02,14.04,12.07,11.018,23]tetracosa-4(12),5,7(11),18(23),19,21-hexaen-13-yl]methyl]-2-methylpropanamide?

The IUPAC name of N-[[(1R,13R,15R,16R)-15-cyano-5-hydroxy-22-(methoxymethoxy)-6,20,21,24-tetramethyl-8,10-dioxa-14,24-diazahexacyclo[14.7.1.02,14.04,12.07,11.018,23]tetracosa-4(12),5,7(11),18(23),19,21-hexaen-13-yl]methyl]-2-methylpropanamide (CID 58912483) is N-[[(1R,13R,15R,16R)-15-cyano-5-hydroxy-22-(methoxymethoxy)-6,20,21,24-tetramethyl-8,10-dioxa-14,24-diazahexacyclo[14.7.1.02,14.04,12.07,11.018,23]tetracosa-4(12),5,7(11),18(23),19,21-hexaen-13-yl]methyl]-2-methylpropanamide.

What is the SMILES notation for N-[[(1R,13R,15R,16R)-15-cyano-5-hydroxy-22-(methoxymethoxy)-6,20,21,24-tetramethyl-8,10-dioxa-14,24-diazahexacyclo[14.7.1.02,14.04,12.07,11.018,23]tetracosa-4(12),5,7(11),18(23),19,21-hexaen-13-yl]methyl]-2-methylpropanamide?

The canonical SMILES for N-[[(1R,13R,15R,16R)-15-cyano-5-hydroxy-22-(methoxymethoxy)-6,20,21,24-tetramethyl-8,10-dioxa-14,24-diazahexacyclo[14.7.1.02,14.04,12.07,11.018,23]tetracosa-4(12),5,7(11),18(23),19,21-hexaen-13-yl]methyl]-2-methylpropanamide is COCOc1c(C)c(C)cc2c1[C@@H]1C3Cc4c(O)c(C)c5c(c4[C@H](CNC(=O)C(C)C)N3[C@@H](C#N)[C@@H](C2)N1C)OCO5.

What is the InChIKey of N-[[(1R,13R,15R,16R)-15-cyano-5-hydroxy-22-(methoxymethoxy)-6,20,21,24-tetramethyl-8,10-dioxa-14,24-diazahexacyclo[14.7.1.02,14.04,12.07,11.018,23]tetracosa-4(12),5,7(11),18(23),19,21-hexaen-13-yl]methyl]-2-methylpropanamide?

The InChIKey is VTVPLWBTASSNKM-MVMCFMLRSA-N. The full InChI is InChI=1S/C32H40N4O6/c1-15(2)32(38)34-12-24-26-20(28(37)18(5)30-31(26)42-14-41-30)10-22-27-25-19(8-16(3)17(4)29(25)40-13-39-7)9-21(35(27)6)23(11-33)36(22)24/h8,15,21-24,27,37H,9-10,12-14H2,1-7H3,(H,34,38)/t21-,22?,23+,24+,27+/m1/s1.

What are the key properties of N-[[(1R,13R,15R,16R)-15-cyano-5-hydroxy-22-(methoxymethoxy)-6,20,21,24-tetramethyl-8,10-dioxa-14,24-diazahexacyclo[14.7.1.02,14.04,12.07,11.018,23]tetracosa-4(12),5,7(11),18(23),19,21-hexaen-13-yl]methyl]-2-methylpropanamide?

N-[[(1R,13R,15R,16R)-15-cyano-5-hydroxy-22-(methoxymethoxy)-6,20,21,24-tetramethyl-8,10-dioxa-14,24-diazahexacyclo[14.7.1.02,14.04,12.07,11.018,23]tetracosa-4(12),5,7(11),18(23),19,21-hexaen-13-yl]methyl]-2-methylpropanamide has a molecular weight of 576.69 g/mol, XLogP of 3.57, 6 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for N-[[(1R,13R,15R,16R)-15-cyano-5-hydroxy-22-(methoxymethoxy)-6,20,21,24-tetramethyl-8,10-dioxa-14,24-diazahexacyclo[14.7.1.02,14.04,12.07,11.018,23]tetracosa-4(12),5,7(11),18(23),19,21-hexaen-13-yl]methyl]-2-methylpropanamide is sourced from PubChem (CID 58912483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).