N-[4-[2-[(6R)-11-hydroxy-9,13-dimethyl-16-oxo-6-propyl-5,7-dioxapentacyclo[10.8.0.02,9.04,8.013,18]icosa-14,17-dien-8-yl]-2-oxoethoxy]phenyl]propanamide

C34H43NO7 — CID 134507154

About N-[4-[2-[(6R)-11-hydroxy-9,13-dimethyl-16-oxo-6-propyl-5,7-dioxapentacyclo[10.8.0.02,9.04,8.013,18]icosa-14,17-dien-8-yl]-2-oxoethoxy]phenyl]propanamide

N-[4-[2-[(6R)-11-hydroxy-9,13-dimethyl-16-oxo-6-propyl-5,7-dioxapentacyclo[10.8.0.02,9.04,8.013,18]icosa-14,17-dien-8-yl]-2-oxoethoxy]phenyl]propanamide (PubChem CID 134507154) has the molecular formula C34H43NO7 and a molecular weight of 577.72 g/mol. Its IUPAC name is N-[4-[2-[(6R)-11-hydroxy-9,13-dimethyl-16-oxo-6-propyl-5,7-dioxapentacyclo[10.8.0.02,9.04,8.013,18]icosa-14,17-dien-8-yl]-2-oxoethoxy]phenyl]propanamide.

Molecular Properties

• Compound Name: N-[4-[2-[(6R)-11-hydroxy-9,13-dimethyl-16-oxo-6-propyl-5,7-dioxapentacyclo[10.8.0.02,9.04,8.013,18]icosa-14,17-dien-8-yl]-2-oxoethoxy]phenyl]propanamide
• PubChem CID: 134507154
• Molecular Formula: C34H43NO7
• Molecular Weight: 577.72 g/mol
• Exact Mass: 577.30
• IUPAC Name: N-[4-[2-[(6R)-11-hydroxy-9,13-dimethyl-16-oxo-6-propyl-5,7-dioxapentacyclo[10.8.0.02,9.04,8.013,18]icosa-14,17-dien-8-yl]-2-oxoethoxy]phenyl]propanamide
• SMILES: CCC[C@@H]1OC2CC3C4CCC5=CC(=O)C=CC5(C)C4C(O)CC3(C)C2(C(=O)COc2ccc(NC(=O)CC)cc2)O1
• InChI: InChI=1S/C34H43NO7/c1-5-7-30-41-28-17-25-24-13-8-20-16-22(36)14-15-32(20,3)31(24)26(37)18-33(25,4)34(28,42-30)27(38)19-40-23-11-9-21(10-12-23)35-29(39)6-2/h9-12,14-16,24-26,28,30-31,37H,5-8,13,17-19H2,1-4H3,(H,35,39)/t24?,25?,26?,28?,30-,31?,32?,33?,34?/m1/s1
• InChIKey: OVKLBJVIIYGGCW-NYCFJUCJSA-N
• XLogP: 5.15
• TPSA: 111.16 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 8
• Heavy Atoms: 42
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	577.72
LogP ≤ 5	5.15
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of N-[4-[2-[(6R)-11-hydroxy-9,13-dimethyl-16-oxo-6-propyl-5,7-dioxapentacyclo[10.8.0.02,9.04,8.013,18]icosa-14,17-dien-8-yl]-2-oxoethoxy]phenyl]propanamide?

The IUPAC name of N-[4-[2-[(6R)-11-hydroxy-9,13-dimethyl-16-oxo-6-propyl-5,7-dioxapentacyclo[10.8.0.02,9.04,8.013,18]icosa-14,17-dien-8-yl]-2-oxoethoxy]phenyl]propanamide (CID 134507154) is N-[4-[2-[(6R)-11-hydroxy-9,13-dimethyl-16-oxo-6-propyl-5,7-dioxapentacyclo[10.8.0.02,9.04,8.013,18]icosa-14,17-dien-8-yl]-2-oxoethoxy]phenyl]propanamide.

What is the SMILES notation for N-[4-[2-[(6R)-11-hydroxy-9,13-dimethyl-16-oxo-6-propyl-5,7-dioxapentacyclo[10.8.0.02,9.04,8.013,18]icosa-14,17-dien-8-yl]-2-oxoethoxy]phenyl]propanamide?

The canonical SMILES for N-[4-[2-[(6R)-11-hydroxy-9,13-dimethyl-16-oxo-6-propyl-5,7-dioxapentacyclo[10.8.0.02,9.04,8.013,18]icosa-14,17-dien-8-yl]-2-oxoethoxy]phenyl]propanamide is CCC[C@@H]1OC2CC3C4CCC5=CC(=O)C=CC5(C)C4C(O)CC3(C)C2(C(=O)COc2ccc(NC(=O)CC)cc2)O1.

What is the InChIKey of N-[4-[2-[(6R)-11-hydroxy-9,13-dimethyl-16-oxo-6-propyl-5,7-dioxapentacyclo[10.8.0.02,9.04,8.013,18]icosa-14,17-dien-8-yl]-2-oxoethoxy]phenyl]propanamide?

The InChIKey is OVKLBJVIIYGGCW-NYCFJUCJSA-N. The full InChI is InChI=1S/C34H43NO7/c1-5-7-30-41-28-17-25-24-13-8-20-16-22(36)14-15-32(20,3)31(24)26(37)18-33(25,4)34(28,42-30)27(38)19-40-23-11-9-21(10-12-23)35-29(39)6-2/h9-12,14-16,24-26,28,30-31,37H,5-8,13,17-19H2,1-4H3,(H,35,39)/t24?,25?,26?,28?,30-,31?,32?,33?,34?/m1/s1.

What are the key properties of N-[4-[2-[(6R)-11-hydroxy-9,13-dimethyl-16-oxo-6-propyl-5,7-dioxapentacyclo[10.8.0.02,9.04,8.013,18]icosa-14,17-dien-8-yl]-2-oxoethoxy]phenyl]propanamide?

N-[4-[2-[(6R)-11-hydroxy-9,13-dimethyl-16-oxo-6-propyl-5,7-dioxapentacyclo[10.8.0.02,9.04,8.013,18]icosa-14,17-dien-8-yl]-2-oxoethoxy]phenyl]propanamide has a molecular weight of 577.72 g/mol, XLogP of 5.15, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-[4-[2-[(6R)-11-hydroxy-9,13-dimethyl-16-oxo-6-propyl-5,7-dioxapentacyclo[10.8.0.02,9.04,8.013,18]icosa-14,17-dien-8-yl]-2-oxoethoxy]phenyl]propanamide is sourced from PubChem (CID 134507154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).