N-(1-benzofuran-2-ylmethyl)-3,4,5-trimethoxy-N-methylbenzamide;1-(cyclohexylmethyl)pyrrolidine;ethane

C35H54N2O5 — CID 143210530

IUPACN-(1-benzofuran-2-ylmethyl)-3,4,5-trimethoxy-N-methylbenzamide;1-(cyclohexylmethyl)pyrrolidine;ethane
SMILESC1CCC(CN2CCCC2)CC1.CC.CC.COc1cc(C(=O)N(C)Cc2cc3ccccc3o2)cc(OC)c1OC
InChIInChI=1S/C20H21NO5.C11H21N.2C2H6/c1-21(12-15-9-13-7-5-6-8-16(13)26-15)20(22)14-10-17(23-2)19(25-4)18(11-14)24-3;1-2-6-11(7-3-1)10-12-8-4-5-9-12;2*1-2/h5-11H,12H2,1-4H3;11H,1-10H2;2*1-2H3
InChIKeyARJVDNDZRRSTLY-UHFFFAOYSA-N
MW582.83 g/mol
LogP8.45
Rot. Bonds8

About N-(1-benzofuran-2-ylmethyl)-3,4,5-trimethoxy-N-methylbenzamide;1-(cyclohexylmethyl)pyrrolidine;ethane

N-(1-benzofuran-2-ylmethyl)-3,4,5-trimethoxy-N-methylbenzamide;1-(cyclohexylmethyl)pyrrolidine;ethane (PubChem CID 143210530) has the molecular formula C35H54N2O5 and a molecular weight of 582.83 g/mol. Its IUPAC name is N-(1-benzofuran-2-ylmethyl)-3,4,5-trimethoxy-N-methylbenzamide;1-(cyclohexylmethyl)pyrrolidine;ethane.

Molecular Properties

Compound NameN-(1-benzofuran-2-ylmethyl)-3,4,5-trimethoxy-N-methylbenzamide;1-(cyclohexylmethyl)pyrrolidine;ethane
PubChem CID143210530
Molecular FormulaC35H54N2O5
Molecular Weight582.83 g/mol
Exact Mass582.40
IUPAC NameN-(1-benzofuran-2-ylmethyl)-3,4,5-trimethoxy-N-methylbenzamide;1-(cyclohexylmethyl)pyrrolidine;ethane
SMILESC1CCC(CN2CCCC2)CC1.CC.CC.COc1cc(C(=O)N(C)Cc2cc3ccccc3o2)cc(OC)c1OC
InChIInChI=1S/C20H21NO5.C11H21N.2C2H6/c1-21(12-15-9-13-7-5-6-8-16(13)26-15)20(22)14-10-17(23-2)19(25-4)18(11-14)24-3;1-2-6-11(7-3-1)10-12-8-4-5-9-12;2*1-2/h5-11H,12H2,1-4H3;11H,1-10H2;2*1-2H3
InChIKeyARJVDNDZRRSTLY-UHFFFAOYSA-N
XLogP8.45
TPSA64.38 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500582.83
LogP ≤ 58.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze N-(1-benzofuran-2-ylmethyl)-3,4,5-trimethoxy-N-methylbenzamide;1-(cyclohexylmethyl)pyrrolidine;ethane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-(1-benzofuran-2-ylmethyl)-3,4,5-trimethoxy-N-methylbenzamide;1-(cyclohexylmethyl)pyrrolidine;ethane?
The IUPAC name of N-(1-benzofuran-2-ylmethyl)-3,4,5-trimethoxy-N-methylbenzamide;1-(cyclohexylmethyl)pyrrolidine;ethane (CID 143210530) is N-(1-benzofuran-2-ylmethyl)-3,4,5-trimethoxy-N-methylbenzamide;1-(cyclohexylmethyl)pyrrolidine;ethane.
What is the SMILES notation for N-(1-benzofuran-2-ylmethyl)-3,4,5-trimethoxy-N-methylbenzamide;1-(cyclohexylmethyl)pyrrolidine;ethane?
The canonical SMILES for N-(1-benzofuran-2-ylmethyl)-3,4,5-trimethoxy-N-methylbenzamide;1-(cyclohexylmethyl)pyrrolidine;ethane is C1CCC(CN2CCCC2)CC1.CC.CC.COc1cc(C(=O)N(C)Cc2cc3ccccc3o2)cc(OC)c1OC.
What is the InChIKey of N-(1-benzofuran-2-ylmethyl)-3,4,5-trimethoxy-N-methylbenzamide;1-(cyclohexylmethyl)pyrrolidine;ethane?
The InChIKey is ARJVDNDZRRSTLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21NO5.C11H21N.2C2H6/c1-21(12-15-9-13-7-5-6-8-16(13)26-15)20(22)14-10-17(23-2)19(25-4)18(11-14)24-3;1-2-6-11(7-3-1)10-12-8-4-5-9-12;2*1-2/h5-11H,12H2,1-4H3;11H,1-10H2;2*1-2H3.
What are the key properties of N-(1-benzofuran-2-ylmethyl)-3,4,5-trimethoxy-N-methylbenzamide;1-(cyclohexylmethyl)pyrrolidine;ethane?
N-(1-benzofuran-2-ylmethyl)-3,4,5-trimethoxy-N-methylbenzamide;1-(cyclohexylmethyl)pyrrolidine;ethane has a molecular weight of 582.83 g/mol, XLogP of 8.45, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-benzofuran-2-ylmethyl)-3,4,5-trimethoxy-N-methylbenzamide;1-(cyclohexylmethyl)pyrrolidine;ethane is sourced from PubChem (CID 143210530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).