N-(cyclopropylmethyl)-2-[(3R,13R,16S,17R,19S)-3-[(4S)-4-[(4,4-dimethyl-2,6-dioxopiperidin-1-yl)methyl]-5,5-dimethyl-2-oxohexyl]-18,18-dimethyl-2,15-dioxo-1-azatricyclo[14.4.0.017,19]icosan-13-yl]-2-oxoacetamide

C43H67N3O7 — CID 58311007

About N-(cyclopropylmethyl)-2-[(3R,13R,16S,17R,19S)-3-[(4S)-4-[(4,4-dimethyl-2,6-dioxopiperidin-1-yl)methyl]-5,5-dimethyl-2-oxohexyl]-18,18-dimethyl-2,15-dioxo-1-azatricyclo[14.4.0.017,19]icosan-13-yl]-2-oxoacetamide

N-(cyclopropylmethyl)-2-[(3R,13R,16S,17R,19S)-3-[(4S)-4-[(4,4-dimethyl-2,6-dioxopiperidin-1-yl)methyl]-5,5-dimethyl-2-oxohexyl]-18,18-dimethyl-2,15-dioxo-1-azatricyclo[14.4.0.017,19]icosan-13-yl]-2-oxoacetamide (PubChem CID 58311007) has the molecular formula C43H67N3O7 and a molecular weight of 738.02 g/mol. Its IUPAC name is N-(cyclopropylmethyl)-2-[(3R,13R,16S,17R,19S)-3-[(4S)-4-[(4,4-dimethyl-2,6-dioxopiperidin-1-yl)methyl]-5,5-dimethyl-2-oxohexyl]-18,18-dimethyl-2,15-dioxo-1-azatricyclo[14.4.0.017,19]icosan-13-yl]-2-oxoacetamide.

Molecular Properties

• Compound Name: N-(cyclopropylmethyl)-2-[(3R,13R,16S,17R,19S)-3-[(4S)-4-[(4,4-dimethyl-2,6-dioxopiperidin-1-yl)methyl]-5,5-dimethyl-2-oxohexyl]-18,18-dimethyl-2,15-dioxo-1-azatricyclo[14.4.0.017,19]icosan-13-yl]-2-oxoacetamide
• PubChem CID: 58311007
• Molecular Formula: C43H67N3O7
• Molecular Weight: 738.02 g/mol
• Exact Mass: 737.50
• IUPAC Name: N-(cyclopropylmethyl)-2-[(3R,13R,16S,17R,19S)-3-[(4S)-4-[(4,4-dimethyl-2,6-dioxopiperidin-1-yl)methyl]-5,5-dimethyl-2-oxohexyl]-18,18-dimethyl-2,15-dioxo-1-azatricyclo[14.4.0.017,19]icosan-13-yl]-2-oxoacetamide
• SMILES: CC1(C)CC(=O)N(C[C@@H](CC(=O)C[C@H]2CCCCCCCCC[C@@H](C(=O)C(=O)NCC3CC3)CC(=O)[C@@H]3[C@@H]4[C@H](CN3C2=O)C4(C)C)C(C)(C)C)C(=O)C1
• InChI: InChI=1S/C43H67N3O7/c1-41(2,3)30(25-45-34(49)22-42(4,5)23-35(45)50)21-31(47)19-29-16-14-12-10-8-9-11-13-15-28(38(51)39(52)44-24-27-17-18-27)20-33(48)37-36-32(43(36,6)7)26-46(37)40(29)53/h27-30,32,36-37H,8-26H2,1-7H3,(H,44,52)/t28-,29-,30-,32+,36+,37-/m1/s1
• InChIKey: GFHQJAMZAYDDTD-DSDBPNFWSA-N
• XLogP: 6.47
• TPSA: 138.00 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 10
• Heavy Atoms: 53
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	738.02
LogP ≤ 5	6.47
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N-(cyclopropylmethyl)-2-[(3R,13R,16S,17R,19S)-3-[(4S)-4-[(4,4-dimethyl-2,6-dioxopiperidin-1-yl)methyl]-5,5-dimethyl-2-oxohexyl]-18,18-dimethyl-2,15-dioxo-1-azatricyclo[14.4.0.017,19]icosan-13-yl]-2-oxoacetamide?

The IUPAC name of N-(cyclopropylmethyl)-2-[(3R,13R,16S,17R,19S)-3-[(4S)-4-[(4,4-dimethyl-2,6-dioxopiperidin-1-yl)methyl]-5,5-dimethyl-2-oxohexyl]-18,18-dimethyl-2,15-dioxo-1-azatricyclo[14.4.0.017,19]icosan-13-yl]-2-oxoacetamide (CID 58311007) is N-(cyclopropylmethyl)-2-[(3R,13R,16S,17R,19S)-3-[(4S)-4-[(4,4-dimethyl-2,6-dioxopiperidin-1-yl)methyl]-5,5-dimethyl-2-oxohexyl]-18,18-dimethyl-2,15-dioxo-1-azatricyclo[14.4.0.017,19]icosan-13-yl]-2-oxoacetamide.

What is the SMILES notation for N-(cyclopropylmethyl)-2-[(3R,13R,16S,17R,19S)-3-[(4S)-4-[(4,4-dimethyl-2,6-dioxopiperidin-1-yl)methyl]-5,5-dimethyl-2-oxohexyl]-18,18-dimethyl-2,15-dioxo-1-azatricyclo[14.4.0.017,19]icosan-13-yl]-2-oxoacetamide?

The canonical SMILES for N-(cyclopropylmethyl)-2-[(3R,13R,16S,17R,19S)-3-[(4S)-4-[(4,4-dimethyl-2,6-dioxopiperidin-1-yl)methyl]-5,5-dimethyl-2-oxohexyl]-18,18-dimethyl-2,15-dioxo-1-azatricyclo[14.4.0.017,19]icosan-13-yl]-2-oxoacetamide is CC1(C)CC(=O)N(C[C@@H](CC(=O)C[C@H]2CCCCCCCCC[C@@H](C(=O)C(=O)NCC3CC3)CC(=O)[C@@H]3[C@@H]4[C@H](CN3C2=O)C4(C)C)C(C)(C)C)C(=O)C1.

What is the InChIKey of N-(cyclopropylmethyl)-2-[(3R,13R,16S,17R,19S)-3-[(4S)-4-[(4,4-dimethyl-2,6-dioxopiperidin-1-yl)methyl]-5,5-dimethyl-2-oxohexyl]-18,18-dimethyl-2,15-dioxo-1-azatricyclo[14.4.0.017,19]icosan-13-yl]-2-oxoacetamide?

The InChIKey is GFHQJAMZAYDDTD-DSDBPNFWSA-N. The full InChI is InChI=1S/C43H67N3O7/c1-41(2,3)30(25-45-34(49)22-42(4,5)23-35(45)50)21-31(47)19-29-16-14-12-10-8-9-11-13-15-28(38(51)39(52)44-24-27-17-18-27)20-33(48)37-36-32(43(36,6)7)26-46(37)40(29)53/h27-30,32,36-37H,8-26H2,1-7H3,(H,44,52)/t28-,29-,30-,32+,36+,37-/m1/s1.

What are the key properties of N-(cyclopropylmethyl)-2-[(3R,13R,16S,17R,19S)-3-[(4S)-4-[(4,4-dimethyl-2,6-dioxopiperidin-1-yl)methyl]-5,5-dimethyl-2-oxohexyl]-18,18-dimethyl-2,15-dioxo-1-azatricyclo[14.4.0.017,19]icosan-13-yl]-2-oxoacetamide?

N-(cyclopropylmethyl)-2-[(3R,13R,16S,17R,19S)-3-[(4S)-4-[(4,4-dimethyl-2,6-dioxopiperidin-1-yl)methyl]-5,5-dimethyl-2-oxohexyl]-18,18-dimethyl-2,15-dioxo-1-azatricyclo[14.4.0.017,19]icosan-13-yl]-2-oxoacetamide has a molecular weight of 738.02 g/mol, XLogP of 6.47, 10 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-(cyclopropylmethyl)-2-[(3R,13R,16S,17R,19S)-3-[(4S)-4-[(4,4-dimethyl-2,6-dioxopiperidin-1-yl)methyl]-5,5-dimethyl-2-oxohexyl]-18,18-dimethyl-2,15-dioxo-1-azatricyclo[14.4.0.017,19]icosan-13-yl]-2-oxoacetamide is sourced from PubChem (CID 58311007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).