N-[2-(2-ethoxy-6H-isoindolo[2,1-a]indol-11-yl)ethyl]butanamide

C23H26N2O2 — CID 10522674

IUPACN-[2-(2-ethoxy-6H-isoindolo[2,1-a]indol-11-yl)ethyl]butanamide
SMILESCCCC(=O)NCCc1c2n(c3ccc(OCC)cc13)Cc1ccccc1-2
InChIInChI=1S/C23H26N2O2/c1-3-7-22(26)24-13-12-19-20-14-17(27-4-2)10-11-21(20)25-15-16-8-5-6-9-18(16)23(19)25/h5-6,8-11,14H,3-4,7,12-13,15H2,1-2H3,(H,24,26)
InChIKeyWQPZDBLTIVLBKS-UHFFFAOYSA-N
MW362.47 g/mol
LogP4.53
Rot. Bonds7

About N-[2-(2-ethoxy-6H-isoindolo[2,1-a]indol-11-yl)ethyl]butanamide

N-[2-(2-ethoxy-6H-isoindolo[2,1-a]indol-11-yl)ethyl]butanamide (PubChem CID 10522674) has the molecular formula C23H26N2O2 and a molecular weight of 362.47 g/mol. Its IUPAC name is N-[2-(2-ethoxy-6H-isoindolo[2,1-a]indol-11-yl)ethyl]butanamide.

Molecular Properties

Compound NameN-[2-(2-ethoxy-6H-isoindolo[2,1-a]indol-11-yl)ethyl]butanamide
PubChem CID10522674
Molecular FormulaC23H26N2O2
Molecular Weight362.47 g/mol
Exact Mass362.20
IUPAC NameN-[2-(2-ethoxy-6H-isoindolo[2,1-a]indol-11-yl)ethyl]butanamide
SMILESCCCC(=O)NCCc1c2n(c3ccc(OCC)cc13)Cc1ccccc1-2
InChIInChI=1S/C23H26N2O2/c1-3-7-22(26)24-13-12-19-20-14-17(27-4-2)10-11-21(20)25-15-16-8-5-6-9-18(16)23(19)25/h5-6,8-11,14H,3-4,7,12-13,15H2,1-2H3,(H,24,26)
InChIKeyWQPZDBLTIVLBKS-UHFFFAOYSA-N
XLogP4.53
TPSA43.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.47
LogP ≤ 54.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[2-(2-ethoxy-6H-isoindolo[2,1-a]indol-11-yl)ethyl]butanamide?
The IUPAC name of N-[2-(2-ethoxy-6H-isoindolo[2,1-a]indol-11-yl)ethyl]butanamide (CID 10522674) is N-[2-(2-ethoxy-6H-isoindolo[2,1-a]indol-11-yl)ethyl]butanamide.
What is the SMILES notation for N-[2-(2-ethoxy-6H-isoindolo[2,1-a]indol-11-yl)ethyl]butanamide?
The canonical SMILES for N-[2-(2-ethoxy-6H-isoindolo[2,1-a]indol-11-yl)ethyl]butanamide is CCCC(=O)NCCc1c2n(c3ccc(OCC)cc13)Cc1ccccc1-2.
What is the InChIKey of N-[2-(2-ethoxy-6H-isoindolo[2,1-a]indol-11-yl)ethyl]butanamide?
The InChIKey is WQPZDBLTIVLBKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N2O2/c1-3-7-22(26)24-13-12-19-20-14-17(27-4-2)10-11-21(20)25-15-16-8-5-6-9-18(16)23(19)25/h5-6,8-11,14H,3-4,7,12-13,15H2,1-2H3,(H,24,26).
What are the key properties of N-[2-(2-ethoxy-6H-isoindolo[2,1-a]indol-11-yl)ethyl]butanamide?
N-[2-(2-ethoxy-6H-isoindolo[2,1-a]indol-11-yl)ethyl]butanamide has a molecular weight of 362.47 g/mol, XLogP of 4.53, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-ethoxy-6H-isoindolo[2,1-a]indol-11-yl)ethyl]butanamide is sourced from PubChem (CID 10522674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).