N-[(2S,3R)-4-(2,2-dimethylpropylamino)-3-hydroxy-1-phenylbutan-2-yl]-2-(9H-fluoren-9-yl)acetamide

C30H36N2O2 — CID 166858162

IUPACN-[(2S,3R)-4-(2,2-dimethylpropylamino)-3-hydroxy-1-phenylbutan-2-yl]-2-(9H-fluoren-9-yl)acetamide
SMILESCC(C)(C)CNC[C@@H](O)[C@H](Cc1ccccc1)NC(=O)CC1c2ccccc2-c2ccccc21
InChIInChI=1S/C30H36N2O2/c1-30(2,3)20-31-19-28(33)27(17-21-11-5-4-6-12-21)32-29(34)18-26-24-15-9-7-13-22(24)23-14-8-10-16-25(23)26/h4-16,26-28,31,33H,17-20H2,1-3H3,(H,32,34)/t27-,28+/m0/s1
InChIKeyYVUSDVRTFJVDBK-WUFINQPMSA-N
MW456.63 g/mol
LogP4.91
Rot. Bonds9

About N-[(2S,3R)-4-(2,2-dimethylpropylamino)-3-hydroxy-1-phenylbutan-2-yl]-2-(9H-fluoren-9-yl)acetamide

N-[(2S,3R)-4-(2,2-dimethylpropylamino)-3-hydroxy-1-phenylbutan-2-yl]-2-(9H-fluoren-9-yl)acetamide (PubChem CID 166858162) has the molecular formula C30H36N2O2 and a molecular weight of 456.63 g/mol. Its IUPAC name is N-[(2S,3R)-4-(2,2-dimethylpropylamino)-3-hydroxy-1-phenylbutan-2-yl]-2-(9H-fluoren-9-yl)acetamide.

Molecular Properties

Compound NameN-[(2S,3R)-4-(2,2-dimethylpropylamino)-3-hydroxy-1-phenylbutan-2-yl]-2-(9H-fluoren-9-yl)acetamide
PubChem CID166858162
Molecular FormulaC30H36N2O2
Molecular Weight456.63 g/mol
Exact Mass456.28
IUPAC NameN-[(2S,3R)-4-(2,2-dimethylpropylamino)-3-hydroxy-1-phenylbutan-2-yl]-2-(9H-fluoren-9-yl)acetamide
SMILESCC(C)(C)CNC[C@@H](O)[C@H](Cc1ccccc1)NC(=O)CC1c2ccccc2-c2ccccc21
InChIInChI=1S/C30H36N2O2/c1-30(2,3)20-31-19-28(33)27(17-21-11-5-4-6-12-21)32-29(34)18-26-24-15-9-7-13-22(24)23-14-8-10-16-25(23)26/h4-16,26-28,31,33H,17-20H2,1-3H3,(H,32,34)/t27-,28+/m0/s1
InChIKeyYVUSDVRTFJVDBK-WUFINQPMSA-N
XLogP4.91
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500456.63
LogP ≤ 54.91
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(2S,3R)-4-(2,2-dimethylpropylamino)-3-hydroxy-1-phenylbutan-2-yl]-2-(9H-fluoren-9-yl)acetamide?
The IUPAC name of N-[(2S,3R)-4-(2,2-dimethylpropylamino)-3-hydroxy-1-phenylbutan-2-yl]-2-(9H-fluoren-9-yl)acetamide (CID 166858162) is N-[(2S,3R)-4-(2,2-dimethylpropylamino)-3-hydroxy-1-phenylbutan-2-yl]-2-(9H-fluoren-9-yl)acetamide.
What is the SMILES notation for N-[(2S,3R)-4-(2,2-dimethylpropylamino)-3-hydroxy-1-phenylbutan-2-yl]-2-(9H-fluoren-9-yl)acetamide?
The canonical SMILES for N-[(2S,3R)-4-(2,2-dimethylpropylamino)-3-hydroxy-1-phenylbutan-2-yl]-2-(9H-fluoren-9-yl)acetamide is CC(C)(C)CNC[C@@H](O)[C@H](Cc1ccccc1)NC(=O)CC1c2ccccc2-c2ccccc21.
What is the InChIKey of N-[(2S,3R)-4-(2,2-dimethylpropylamino)-3-hydroxy-1-phenylbutan-2-yl]-2-(9H-fluoren-9-yl)acetamide?
The InChIKey is YVUSDVRTFJVDBK-WUFINQPMSA-N. The full InChI is InChI=1S/C30H36N2O2/c1-30(2,3)20-31-19-28(33)27(17-21-11-5-4-6-12-21)32-29(34)18-26-24-15-9-7-13-22(24)23-14-8-10-16-25(23)26/h4-16,26-28,31,33H,17-20H2,1-3H3,(H,32,34)/t27-,28+/m0/s1.
What are the key properties of N-[(2S,3R)-4-(2,2-dimethylpropylamino)-3-hydroxy-1-phenylbutan-2-yl]-2-(9H-fluoren-9-yl)acetamide?
N-[(2S,3R)-4-(2,2-dimethylpropylamino)-3-hydroxy-1-phenylbutan-2-yl]-2-(9H-fluoren-9-yl)acetamide has a molecular weight of 456.63 g/mol, XLogP of 4.91, 9 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S,3R)-4-(2,2-dimethylpropylamino)-3-hydroxy-1-phenylbutan-2-yl]-2-(9H-fluoren-9-yl)acetamide is sourced from PubChem (CID 166858162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).