10-hydroxy-2,4a,6a,6b,9,9,12a-heptamethyl-N-[(2-methylpropan-2-yl)oxy]-13-oxo-3,4,5,6,6a,7,8,8a,10,11,12,14b-dodecahydro-1H-picene-2-carboxamide

C34H55NO4 — CID 75253500

About 10-hydroxy-2,4a,6a,6b,9,9,12a-heptamethyl-N-[(2-methylpropan-2-yl)oxy]-13-oxo-3,4,5,6,6a,7,8,8a,10,11,12,14b-dodecahydro-1H-picene-2-carboxamide

10-hydroxy-2,4a,6a,6b,9,9,12a-heptamethyl-N-[(2-methylpropan-2-yl)oxy]-13-oxo-3,4,5,6,6a,7,8,8a,10,11,12,14b-dodecahydro-1H-picene-2-carboxamide (PubChem CID 75253500) has the molecular formula C34H55NO4 and a molecular weight of 541.82 g/mol. Its IUPAC name is 10-hydroxy-2,4a,6a,6b,9,9,12a-heptamethyl-N-[(2-methylpropan-2-yl)oxy]-13-oxo-3,4,5,6,6a,7,8,8a,10,11,12,14b-dodecahydro-1H-picene-2-carboxamide.

Molecular Properties

• Compound Name: 10-hydroxy-2,4a,6a,6b,9,9,12a-heptamethyl-N-[(2-methylpropan-2-yl)oxy]-13-oxo-3,4,5,6,6a,7,8,8a,10,11,12,14b-dodecahydro-1H-picene-2-carboxamide
• PubChem CID: 75253500
• Molecular Formula: C34H55NO4
• Molecular Weight: 541.82 g/mol
• Exact Mass: 541.41
• IUPAC Name: 10-hydroxy-2,4a,6a,6b,9,9,12a-heptamethyl-N-[(2-methylpropan-2-yl)oxy]-13-oxo-3,4,5,6,6a,7,8,8a,10,11,12,14b-dodecahydro-1H-picene-2-carboxamide
• SMILES: CC(C)(C)ONC(=O)C1(C)CCC2(C)CCC3(C)C(=CC(=O)C4C5(C)CCC(O)C(C)(C)C5CCC43C)C2C1
• InChI: InChI=1S/C34H55NO4/c1-28(2,3)39-35-27(38)31(7)16-15-30(6)17-18-33(9)21(22(30)20-31)19-23(36)26-32(8)13-12-25(37)29(4,5)24(32)11-14-34(26,33)10/h19,22,24-26,37H,11-18,20H2,1-10H3,(H,35,38)
• InChIKey: PRXUCWAGKFUMRP-UHFFFAOYSA-N
• XLogP: 7.17
• TPSA: 75.63 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 4
• Rotatable Bonds: 2
• Heavy Atoms: 39
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	541.82
LogP ≤ 5	7.17
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 10-hydroxy-2,4a,6a,6b,9,9,12a-heptamethyl-N-[(2-methylpropan-2-yl)oxy]-13-oxo-3,4,5,6,6a,7,8,8a,10,11,12,14b-dodecahydro-1H-picene-2-carboxamide?

The IUPAC name of 10-hydroxy-2,4a,6a,6b,9,9,12a-heptamethyl-N-[(2-methylpropan-2-yl)oxy]-13-oxo-3,4,5,6,6a,7,8,8a,10,11,12,14b-dodecahydro-1H-picene-2-carboxamide (CID 75253500) is 10-hydroxy-2,4a,6a,6b,9,9,12a-heptamethyl-N-[(2-methylpropan-2-yl)oxy]-13-oxo-3,4,5,6,6a,7,8,8a,10,11,12,14b-dodecahydro-1H-picene-2-carboxamide.

What is the SMILES notation for 10-hydroxy-2,4a,6a,6b,9,9,12a-heptamethyl-N-[(2-methylpropan-2-yl)oxy]-13-oxo-3,4,5,6,6a,7,8,8a,10,11,12,14b-dodecahydro-1H-picene-2-carboxamide?

The canonical SMILES for 10-hydroxy-2,4a,6a,6b,9,9,12a-heptamethyl-N-[(2-methylpropan-2-yl)oxy]-13-oxo-3,4,5,6,6a,7,8,8a,10,11,12,14b-dodecahydro-1H-picene-2-carboxamide is CC(C)(C)ONC(=O)C1(C)CCC2(C)CCC3(C)C(=CC(=O)C4C5(C)CCC(O)C(C)(C)C5CCC43C)C2C1.

What is the InChIKey of 10-hydroxy-2,4a,6a,6b,9,9,12a-heptamethyl-N-[(2-methylpropan-2-yl)oxy]-13-oxo-3,4,5,6,6a,7,8,8a,10,11,12,14b-dodecahydro-1H-picene-2-carboxamide?

The InChIKey is PRXUCWAGKFUMRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H55NO4/c1-28(2,3)39-35-27(38)31(7)16-15-30(6)17-18-33(9)21(22(30)20-31)19-23(36)26-32(8)13-12-25(37)29(4,5)24(32)11-14-34(26,33)10/h19,22,24-26,37H,11-18,20H2,1-10H3,(H,35,38).

What are the key properties of 10-hydroxy-2,4a,6a,6b,9,9,12a-heptamethyl-N-[(2-methylpropan-2-yl)oxy]-13-oxo-3,4,5,6,6a,7,8,8a,10,11,12,14b-dodecahydro-1H-picene-2-carboxamide?

10-hydroxy-2,4a,6a,6b,9,9,12a-heptamethyl-N-[(2-methylpropan-2-yl)oxy]-13-oxo-3,4,5,6,6a,7,8,8a,10,11,12,14b-dodecahydro-1H-picene-2-carboxamide has a molecular weight of 541.82 g/mol, XLogP of 7.17, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 10-hydroxy-2,4a,6a,6b,9,9,12a-heptamethyl-N-[(2-methylpropan-2-yl)oxy]-13-oxo-3,4,5,6,6a,7,8,8a,10,11,12,14b-dodecahydro-1H-picene-2-carboxamide is sourced from PubChem (CID 75253500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).