[1-[2-(azepan-1-yl)ethyl]indol-3-yl]-(2,2,3,3-tetramethylcyclopropyl)methanone

C24H34N2O — CID 11537904

IUPAC[1-[2-(azepan-1-yl)ethyl]indol-3-yl]-(2,2,3,3-tetramethylcyclopropyl)methanone
SMILESCC1(C)C(C(=O)c2cn(CCN3CCCCCC3)c3ccccc23)C1(C)C
InChIInChI=1S/C24H34N2O/c1-23(2)22(24(23,3)4)21(27)19-17-26(20-12-8-7-11-18(19)20)16-15-25-13-9-5-6-10-14-25/h7-8,11-12,17,22H,5-6,9-10,13-16H2,1-4H3
InChIKeyLVQLXZWACOKCSL-UHFFFAOYSA-N
MW366.55 g/mol
LogP5.38
Rot. Bonds5

About [1-[2-(azepan-1-yl)ethyl]indol-3-yl]-(2,2,3,3-tetramethylcyclopropyl)methanone

[1-[2-(azepan-1-yl)ethyl]indol-3-yl]-(2,2,3,3-tetramethylcyclopropyl)methanone (PubChem CID 11537904) has the molecular formula C24H34N2O and a molecular weight of 366.55 g/mol. Its IUPAC name is [1-[2-(azepan-1-yl)ethyl]indol-3-yl]-(2,2,3,3-tetramethylcyclopropyl)methanone.

Molecular Properties

Compound Name[1-[2-(azepan-1-yl)ethyl]indol-3-yl]-(2,2,3,3-tetramethylcyclopropyl)methanone
PubChem CID11537904
Molecular FormulaC24H34N2O
Molecular Weight366.55 g/mol
Exact Mass366.27
IUPAC Name[1-[2-(azepan-1-yl)ethyl]indol-3-yl]-(2,2,3,3-tetramethylcyclopropyl)methanone
SMILESCC1(C)C(C(=O)c2cn(CCN3CCCCCC3)c3ccccc23)C1(C)C
InChIInChI=1S/C24H34N2O/c1-23(2)22(24(23,3)4)21(27)19-17-26(20-12-8-7-11-18(19)20)16-15-25-13-9-5-6-10-14-25/h7-8,11-12,17,22H,5-6,9-10,13-16H2,1-4H3
InChIKeyLVQLXZWACOKCSL-UHFFFAOYSA-N
XLogP5.38
TPSA25.24 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500366.55
LogP ≤ 55.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [1-[2-(azepan-1-yl)ethyl]indol-3-yl]-(2,2,3,3-tetramethylcyclopropyl)methanone?
The IUPAC name of [1-[2-(azepan-1-yl)ethyl]indol-3-yl]-(2,2,3,3-tetramethylcyclopropyl)methanone (CID 11537904) is [1-[2-(azepan-1-yl)ethyl]indol-3-yl]-(2,2,3,3-tetramethylcyclopropyl)methanone.
What is the SMILES notation for [1-[2-(azepan-1-yl)ethyl]indol-3-yl]-(2,2,3,3-tetramethylcyclopropyl)methanone?
The canonical SMILES for [1-[2-(azepan-1-yl)ethyl]indol-3-yl]-(2,2,3,3-tetramethylcyclopropyl)methanone is CC1(C)C(C(=O)c2cn(CCN3CCCCCC3)c3ccccc23)C1(C)C.
What is the InChIKey of [1-[2-(azepan-1-yl)ethyl]indol-3-yl]-(2,2,3,3-tetramethylcyclopropyl)methanone?
The InChIKey is LVQLXZWACOKCSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H34N2O/c1-23(2)22(24(23,3)4)21(27)19-17-26(20-12-8-7-11-18(19)20)16-15-25-13-9-5-6-10-14-25/h7-8,11-12,17,22H,5-6,9-10,13-16H2,1-4H3.
What are the key properties of [1-[2-(azepan-1-yl)ethyl]indol-3-yl]-(2,2,3,3-tetramethylcyclopropyl)methanone?
[1-[2-(azepan-1-yl)ethyl]indol-3-yl]-(2,2,3,3-tetramethylcyclopropyl)methanone has a molecular weight of 366.55 g/mol, XLogP of 5.38, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[2-(azepan-1-yl)ethyl]indol-3-yl]-(2,2,3,3-tetramethylcyclopropyl)methanone is sourced from PubChem (CID 11537904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).