1-cyclopropylethanone;N-[1-[3-[3-(2,2-dimethylbutyl)-1-ethyl-2-(2-propan-2-yl-3-pyridinyl)indol-5-yl]-5-(fluoromethyl)phenyl]-3-oxopropan-2-yl]-2,3-dimethylbutanamide;N,5-dimethylheptan-1-amine;ethane

C58H93FN4O3 — CID 166116159

About 1-cyclopropylethanone;N-[1-[3-[3-(2,2-dimethylbutyl)-1-ethyl-2-(2-propan-2-yl-3-pyridinyl)indol-5-yl]-5-(fluoromethyl)phenyl]-3-oxopropan-2-yl]-2,3-dimethylbutanamide;N,5-dimethylheptan-1-amine;ethane

1-cyclopropylethanone;N-[1-[3-[3-(2,2-dimethylbutyl)-1-ethyl-2-(2-propan-2-yl-3-pyridinyl)indol-5-yl]-5-(fluoromethyl)phenyl]-3-oxopropan-2-yl]-2,3-dimethylbutanamide;N,5-dimethylheptan-1-amine;ethane (PubChem CID 166116159) has the molecular formula C58H93FN4O3 and a molecular weight of 913.40 g/mol. Its IUPAC name is 1-cyclopropylethanone;N-[1-[3-[3-(2,2-dimethylbutyl)-1-ethyl-2-(2-propan-2-yl-3-pyridinyl)indol-5-yl]-5-(fluoromethyl)phenyl]-3-oxopropan-2-yl]-2,3-dimethylbutanamide;N,5-dimethylheptan-1-amine;ethane.

Molecular Properties

• Compound Name: 1-cyclopropylethanone;N-[1-[3-[3-(2,2-dimethylbutyl)-1-ethyl-2-(2-propan-2-yl-3-pyridinyl)indol-5-yl]-5-(fluoromethyl)phenyl]-3-oxopropan-2-yl]-2,3-dimethylbutanamide;N,5-dimethylheptan-1-amine;ethane
• PubChem CID: 166116159
• Molecular Formula: C58H93FN4O3
• Molecular Weight: 913.40 g/mol
• Exact Mass: 912.72
• IUPAC Name: 1-cyclopropylethanone;N-[1-[3-[3-(2,2-dimethylbutyl)-1-ethyl-2-(2-propan-2-yl-3-pyridinyl)indol-5-yl]-5-(fluoromethyl)phenyl]-3-oxopropan-2-yl]-2,3-dimethylbutanamide;N,5-dimethylheptan-1-amine;ethane
• SMILES: CC.CC.CC(=O)C1CC1.CCC(C)CCCCNC.CCn1c(-c2cccnc2C(C)C)c(CC(C)(C)CC)c2cc(-c3cc(CF)cc(CC(C=O)NC(=O)C(C)C(C)C)c3)ccc21
• InChI: InChI=1S/C40H52FN3O2.C9H21N.C5H8O.2C2H6/c1-10-40(8,9)22-35-34-21-30(14-15-36(34)44(11-2)38(35)33-13-12-16-42-37(33)26(5)6)31-18-28(17-29(19-31)23-41)20-32(24-45)43-39(46)27(7)25(3)4;1-4-9(2)7-5-6-8-10-3;1-4(6)5-2-3-5;2*1-2/h12-19,21,24-27,32H,10-11,20,22-23H2,1-9H3,(H,43,46);9-10H,4-8H2,1-3H3;5H,2-3H2,1H3;2*1-2H3
• InChIKey: DZJWEKMBTGNMFX-UHFFFAOYSA-N
• XLogP: 14.94
• TPSA: 93.09 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 21
• Heavy Atoms: 66
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	913.40
LogP ≤ 5	14.94
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 1-cyclopropylethanone;N-[1-[3-[3-(2,2-dimethylbutyl)-1-ethyl-2-(2-propan-2-yl-3-pyridinyl)indol-5-yl]-5-(fluoromethyl)phenyl]-3-oxopropan-2-yl]-2,3-dimethylbutanamide;N,5-dimethylheptan-1-amine;ethane?

The IUPAC name of 1-cyclopropylethanone;N-[1-[3-[3-(2,2-dimethylbutyl)-1-ethyl-2-(2-propan-2-yl-3-pyridinyl)indol-5-yl]-5-(fluoromethyl)phenyl]-3-oxopropan-2-yl]-2,3-dimethylbutanamide;N,5-dimethylheptan-1-amine;ethane (CID 166116159) is 1-cyclopropylethanone;N-[1-[3-[3-(2,2-dimethylbutyl)-1-ethyl-2-(2-propan-2-yl-3-pyridinyl)indol-5-yl]-5-(fluoromethyl)phenyl]-3-oxopropan-2-yl]-2,3-dimethylbutanamide;N,5-dimethylheptan-1-amine;ethane.

What is the SMILES notation for 1-cyclopropylethanone;N-[1-[3-[3-(2,2-dimethylbutyl)-1-ethyl-2-(2-propan-2-yl-3-pyridinyl)indol-5-yl]-5-(fluoromethyl)phenyl]-3-oxopropan-2-yl]-2,3-dimethylbutanamide;N,5-dimethylheptan-1-amine;ethane?

The canonical SMILES for 1-cyclopropylethanone;N-[1-[3-[3-(2,2-dimethylbutyl)-1-ethyl-2-(2-propan-2-yl-3-pyridinyl)indol-5-yl]-5-(fluoromethyl)phenyl]-3-oxopropan-2-yl]-2,3-dimethylbutanamide;N,5-dimethylheptan-1-amine;ethane is CC.CC.CC(=O)C1CC1.CCC(C)CCCCNC.CCn1c(-c2cccnc2C(C)C)c(CC(C)(C)CC)c2cc(-c3cc(CF)cc(CC(C=O)NC(=O)C(C)C(C)C)c3)ccc21.

What is the InChIKey of 1-cyclopropylethanone;N-[1-[3-[3-(2,2-dimethylbutyl)-1-ethyl-2-(2-propan-2-yl-3-pyridinyl)indol-5-yl]-5-(fluoromethyl)phenyl]-3-oxopropan-2-yl]-2,3-dimethylbutanamide;N,5-dimethylheptan-1-amine;ethane?

The InChIKey is DZJWEKMBTGNMFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C40H52FN3O2.C9H21N.C5H8O.2C2H6/c1-10-40(8,9)22-35-34-21-30(14-15-36(34)44(11-2)38(35)33-13-12-16-42-37(33)26(5)6)31-18-28(17-29(19-31)23-41)20-32(24-45)43-39(46)27(7)25(3)4;1-4-9(2)7-5-6-8-10-3;1-4(6)5-2-3-5;2*1-2/h12-19,21,24-27,32H,10-11,20,22-23H2,1-9H3,(H,43,46);9-10H,4-8H2,1-3H3;5H,2-3H2,1H3;2*1-2H3.

What are the key properties of 1-cyclopropylethanone;N-[1-[3-[3-(2,2-dimethylbutyl)-1-ethyl-2-(2-propan-2-yl-3-pyridinyl)indol-5-yl]-5-(fluoromethyl)phenyl]-3-oxopropan-2-yl]-2,3-dimethylbutanamide;N,5-dimethylheptan-1-amine;ethane?

1-cyclopropylethanone;N-[1-[3-[3-(2,2-dimethylbutyl)-1-ethyl-2-(2-propan-2-yl-3-pyridinyl)indol-5-yl]-5-(fluoromethyl)phenyl]-3-oxopropan-2-yl]-2,3-dimethylbutanamide;N,5-dimethylheptan-1-amine;ethane has a molecular weight of 913.40 g/mol, XLogP of 14.94, 21 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 1-cyclopropylethanone;N-[1-[3-[3-(2,2-dimethylbutyl)-1-ethyl-2-(2-propan-2-yl-3-pyridinyl)indol-5-yl]-5-(fluoromethyl)phenyl]-3-oxopropan-2-yl]-2,3-dimethylbutanamide;N,5-dimethylheptan-1-amine;ethane is sourced from PubChem (CID 166116159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).