(4R)-N-(4-acetylphenyl)-4-[(3R,5R,7S,8R,9R,10S,13R,14R,17S)-3,7-dihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanamide

C32H47NO4 — CID 163085836

About (4R)-N-(4-acetylphenyl)-4-[(3R,5R,7S,8R,9R,10S,13R,14R,17S)-3,7-dihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanamide

(4R)-N-(4-acetylphenyl)-4-[(3R,5R,7S,8R,9R,10S,13R,14R,17S)-3,7-dihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanamide (PubChem CID 163085836) has the molecular formula C32H47NO4 and a molecular weight of 509.73 g/mol. Its IUPAC name is (4R)-N-(4-acetylphenyl)-4-[(3R,5R,7S,8R,9R,10S,13R,14R,17S)-3,7-dihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanamide.

Molecular Properties

• Compound Name: (4R)-N-(4-acetylphenyl)-4-[(3R,5R,7S,8R,9R,10S,13R,14R,17S)-3,7-dihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanamide
• PubChem CID: 163085836
• Molecular Formula: C32H47NO4
• Molecular Weight: 509.73 g/mol
• Exact Mass: 509.35
• IUPAC Name: (4R)-N-(4-acetylphenyl)-4-[(3R,5R,7S,8R,9R,10S,13R,14R,17S)-3,7-dihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanamide
• SMILES: CC(=O)c1ccc(NC(=O)CC[C@@H](C)[C@@H]2CC[C@@H]3[C@H]4[C@@H](CC[C@@]32C)[C@@]2(C)CC[C@@H](O)C[C@@H]2C[C@@H]4O)cc1
• InChI: InChI=1S/C32H47NO4/c1-19(5-12-29(37)33-23-8-6-21(7-9-23)20(2)34)25-10-11-26-30-27(14-16-32(25,26)4)31(3)15-13-24(35)17-22(31)18-28(30)36/h6-9,19,22,24-28,30,35-36H,5,10-18H2,1-4H3,(H,33,37)/t19-,22-,24-,25+,26-,27-,28+,30+,31+,32-/m1/s1
• InChIKey: FORWRDQSUGFECJ-BBBBJWLDSA-N
• XLogP: 6.23
• TPSA: 86.63 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 4
• Rotatable Bonds: 6
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	509.73
LogP ≤ 5	6.23
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of (4R)-N-(4-acetylphenyl)-4-[(3R,5R,7S,8R,9R,10S,13R,14R,17S)-3,7-dihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanamide?

The IUPAC name of (4R)-N-(4-acetylphenyl)-4-[(3R,5R,7S,8R,9R,10S,13R,14R,17S)-3,7-dihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanamide (CID 163085836) is (4R)-N-(4-acetylphenyl)-4-[(3R,5R,7S,8R,9R,10S,13R,14R,17S)-3,7-dihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanamide.

What is the SMILES notation for (4R)-N-(4-acetylphenyl)-4-[(3R,5R,7S,8R,9R,10S,13R,14R,17S)-3,7-dihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanamide?

The canonical SMILES for (4R)-N-(4-acetylphenyl)-4-[(3R,5R,7S,8R,9R,10S,13R,14R,17S)-3,7-dihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanamide is CC(=O)c1ccc(NC(=O)CC[C@@H](C)[C@@H]2CC[C@@H]3[C@H]4[C@@H](CC[C@@]32C)[C@@]2(C)CC[C@@H](O)C[C@@H]2C[C@@H]4O)cc1.

What is the InChIKey of (4R)-N-(4-acetylphenyl)-4-[(3R,5R,7S,8R,9R,10S,13R,14R,17S)-3,7-dihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanamide?

The InChIKey is FORWRDQSUGFECJ-BBBBJWLDSA-N. The full InChI is InChI=1S/C32H47NO4/c1-19(5-12-29(37)33-23-8-6-21(7-9-23)20(2)34)25-10-11-26-30-27(14-16-32(25,26)4)31(3)15-13-24(35)17-22(31)18-28(30)36/h6-9,19,22,24-28,30,35-36H,5,10-18H2,1-4H3,(H,33,37)/t19-,22-,24-,25+,26-,27-,28+,30+,31+,32-/m1/s1.

What are the key properties of (4R)-N-(4-acetylphenyl)-4-[(3R,5R,7S,8R,9R,10S,13R,14R,17S)-3,7-dihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanamide?

(4R)-N-(4-acetylphenyl)-4-[(3R,5R,7S,8R,9R,10S,13R,14R,17S)-3,7-dihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanamide has a molecular weight of 509.73 g/mol, XLogP of 6.23, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for (4R)-N-(4-acetylphenyl)-4-[(3R,5R,7S,8R,9R,10S,13R,14R,17S)-3,7-dihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanamide is sourced from PubChem (CID 163085836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).