cyclopropylmethyl-[(5-methoxy-2-methyl-3-phenyl-1-benzofuran-6-yl)methyl]-propylazanium

C24H30NO2+ — CID 7463608

IUPACcyclopropylmethyl-[(5-methoxy-2-methyl-3-phenyl-1-benzofuran-6-yl)methyl]-propylazanium
SMILESCCC[NH+](Cc1cc2oc(C)c(-c3ccccc3)c2cc1OC)CC1CC1
InChIInChI=1S/C24H29NO2/c1-4-12-25(15-18-10-11-18)16-20-13-23-21(14-22(20)26-3)24(17(2)27-23)19-8-6-5-7-9-19/h5-9,13-14,18H,4,10-12,15-16H2,1-3H3/p+1
InChIKeyWIEUDOVDDRRZHY-UHFFFAOYSA-O
MW364.51 g/mol
LogP4.62
Rot. Bonds8

About cyclopropylmethyl-[(5-methoxy-2-methyl-3-phenyl-1-benzofuran-6-yl)methyl]-propylazanium

cyclopropylmethyl-[(5-methoxy-2-methyl-3-phenyl-1-benzofuran-6-yl)methyl]-propylazanium (PubChem CID 7463608) has the molecular formula C24H30NO2+ and a molecular weight of 364.51 g/mol. Its IUPAC name is cyclopropylmethyl-[(5-methoxy-2-methyl-3-phenyl-1-benzofuran-6-yl)methyl]-propylazanium.

Molecular Properties

Compound Namecyclopropylmethyl-[(5-methoxy-2-methyl-3-phenyl-1-benzofuran-6-yl)methyl]-propylazanium
PubChem CID7463608
Molecular FormulaC24H30NO2+
Molecular Weight364.51 g/mol
Exact Mass364.23
IUPAC Namecyclopropylmethyl-[(5-methoxy-2-methyl-3-phenyl-1-benzofuran-6-yl)methyl]-propylazanium
SMILESCCC[NH+](Cc1cc2oc(C)c(-c3ccccc3)c2cc1OC)CC1CC1
InChIInChI=1S/C24H29NO2/c1-4-12-25(15-18-10-11-18)16-20-13-23-21(14-22(20)26-3)24(17(2)27-23)19-8-6-5-7-9-19/h5-9,13-14,18H,4,10-12,15-16H2,1-3H3/p+1
InChIKeyWIEUDOVDDRRZHY-UHFFFAOYSA-O
XLogP4.62
TPSA26.81 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.51
LogP ≤ 54.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of cyclopropylmethyl-[(5-methoxy-2-methyl-3-phenyl-1-benzofuran-6-yl)methyl]-propylazanium?
The IUPAC name of cyclopropylmethyl-[(5-methoxy-2-methyl-3-phenyl-1-benzofuran-6-yl)methyl]-propylazanium (CID 7463608) is cyclopropylmethyl-[(5-methoxy-2-methyl-3-phenyl-1-benzofuran-6-yl)methyl]-propylazanium.
What is the SMILES notation for cyclopropylmethyl-[(5-methoxy-2-methyl-3-phenyl-1-benzofuran-6-yl)methyl]-propylazanium?
The canonical SMILES for cyclopropylmethyl-[(5-methoxy-2-methyl-3-phenyl-1-benzofuran-6-yl)methyl]-propylazanium is CCC[NH+](Cc1cc2oc(C)c(-c3ccccc3)c2cc1OC)CC1CC1.
What is the InChIKey of cyclopropylmethyl-[(5-methoxy-2-methyl-3-phenyl-1-benzofuran-6-yl)methyl]-propylazanium?
The InChIKey is WIEUDOVDDRRZHY-UHFFFAOYSA-O. The full InChI is InChI=1S/C24H29NO2/c1-4-12-25(15-18-10-11-18)16-20-13-23-21(14-22(20)26-3)24(17(2)27-23)19-8-6-5-7-9-19/h5-9,13-14,18H,4,10-12,15-16H2,1-3H3/p+1.
What are the key properties of cyclopropylmethyl-[(5-methoxy-2-methyl-3-phenyl-1-benzofuran-6-yl)methyl]-propylazanium?
cyclopropylmethyl-[(5-methoxy-2-methyl-3-phenyl-1-benzofuran-6-yl)methyl]-propylazanium has a molecular weight of 364.51 g/mol, XLogP of 4.62, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopropylmethyl-[(5-methoxy-2-methyl-3-phenyl-1-benzofuran-6-yl)methyl]-propylazanium is sourced from PubChem (CID 7463608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).