3,4-dimethoxy-N-[[1-(5-methoxy-1H-indol-3-yl)cyclopropyl]methyl]benzamide

C22H24N2O4 — CID 113085241

IUPAC3,4-dimethoxy-N-[[1-(5-methoxy-1H-indol-3-yl)cyclopropyl]methyl]benzamide
SMILESCOc1ccc2[nH]cc(C3(CNC(=O)c4ccc(OC)c(OC)c4)CC3)c2c1
InChIInChI=1S/C22H24N2O4/c1-26-15-5-6-18-16(11-15)17(12-23-18)22(8-9-22)13-24-21(25)14-4-7-19(27-2)20(10-14)28-3/h4-7,10-12,23H,8-9,13H2,1-3H3,(H,24,25)
InChIKeyLSPMANLFQFZOCB-UHFFFAOYSA-N
MW380.44 g/mol
LogP3.66
Rot. Bonds7

About 3,4-dimethoxy-N-[[1-(5-methoxy-1H-indol-3-yl)cyclopropyl]methyl]benzamide

3,4-dimethoxy-N-[[1-(5-methoxy-1H-indol-3-yl)cyclopropyl]methyl]benzamide (PubChem CID 113085241) has the molecular formula C22H24N2O4 and a molecular weight of 380.44 g/mol. Its IUPAC name is 3,4-dimethoxy-N-[[1-(5-methoxy-1H-indol-3-yl)cyclopropyl]methyl]benzamide.

Molecular Properties

Compound Name3,4-dimethoxy-N-[[1-(5-methoxy-1H-indol-3-yl)cyclopropyl]methyl]benzamide
PubChem CID113085241
Molecular FormulaC22H24N2O4
Molecular Weight380.44 g/mol
Exact Mass380.17
IUPAC Name3,4-dimethoxy-N-[[1-(5-methoxy-1H-indol-3-yl)cyclopropyl]methyl]benzamide
SMILESCOc1ccc2[nH]cc(C3(CNC(=O)c4ccc(OC)c(OC)c4)CC3)c2c1
InChIInChI=1S/C22H24N2O4/c1-26-15-5-6-18-16(11-15)17(12-23-18)22(8-9-22)13-24-21(25)14-4-7-19(27-2)20(10-14)28-3/h4-7,10-12,23H,8-9,13H2,1-3H3,(H,24,25)
InChIKeyLSPMANLFQFZOCB-UHFFFAOYSA-N
XLogP3.66
TPSA72.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.44
LogP ≤ 53.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3,4-dimethoxy-N-[[1-(5-methoxy-1H-indol-3-yl)cyclopropyl]methyl]benzamide?
The IUPAC name of 3,4-dimethoxy-N-[[1-(5-methoxy-1H-indol-3-yl)cyclopropyl]methyl]benzamide (CID 113085241) is 3,4-dimethoxy-N-[[1-(5-methoxy-1H-indol-3-yl)cyclopropyl]methyl]benzamide.
What is the SMILES notation for 3,4-dimethoxy-N-[[1-(5-methoxy-1H-indol-3-yl)cyclopropyl]methyl]benzamide?
The canonical SMILES for 3,4-dimethoxy-N-[[1-(5-methoxy-1H-indol-3-yl)cyclopropyl]methyl]benzamide is COc1ccc2[nH]cc(C3(CNC(=O)c4ccc(OC)c(OC)c4)CC3)c2c1.
What is the InChIKey of 3,4-dimethoxy-N-[[1-(5-methoxy-1H-indol-3-yl)cyclopropyl]methyl]benzamide?
The InChIKey is LSPMANLFQFZOCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N2O4/c1-26-15-5-6-18-16(11-15)17(12-23-18)22(8-9-22)13-24-21(25)14-4-7-19(27-2)20(10-14)28-3/h4-7,10-12,23H,8-9,13H2,1-3H3,(H,24,25).
What are the key properties of 3,4-dimethoxy-N-[[1-(5-methoxy-1H-indol-3-yl)cyclopropyl]methyl]benzamide?
3,4-dimethoxy-N-[[1-(5-methoxy-1H-indol-3-yl)cyclopropyl]methyl]benzamide has a molecular weight of 380.44 g/mol, XLogP of 3.66, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dimethoxy-N-[[1-(5-methoxy-1H-indol-3-yl)cyclopropyl]methyl]benzamide is sourced from PubChem (CID 113085241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).