N-(1-benzofuran-2-ylmethyl)-N-(1-cyclohexyl-1-pyrrolidin-2-ylethyl)-3,4,5-trimethoxybenzamide

C31H40N2O5 — CID 69103815

IUPACN-(1-benzofuran-2-ylmethyl)-N-(1-cyclohexyl-1-pyrrolidin-2-ylethyl)-3,4,5-trimethoxybenzamide
SMILESCOc1cc(C(=O)N(Cc2cc3ccccc3o2)C(C)(C2CCCCC2)C2CCCN2)cc(OC)c1OC
InChIInChI=1S/C31H40N2O5/c1-31(28-15-10-16-32-28,23-12-6-5-7-13-23)33(20-24-17-21-11-8-9-14-25(21)38-24)30(34)22-18-26(35-2)29(37-4)27(19-22)36-3/h8-9,11,14,17-19,23,28,32H,5-7,10,12-13,15-16,20H2,1-4H3
InChIKeyQZJXTZQOUJNFOZ-UHFFFAOYSA-N
MW520.67 g/mol
LogP6.19
Rot. Bonds9

About N-(1-benzofuran-2-ylmethyl)-N-(1-cyclohexyl-1-pyrrolidin-2-ylethyl)-3,4,5-trimethoxybenzamide

N-(1-benzofuran-2-ylmethyl)-N-(1-cyclohexyl-1-pyrrolidin-2-ylethyl)-3,4,5-trimethoxybenzamide (PubChem CID 69103815) has the molecular formula C31H40N2O5 and a molecular weight of 520.67 g/mol. Its IUPAC name is N-(1-benzofuran-2-ylmethyl)-N-(1-cyclohexyl-1-pyrrolidin-2-ylethyl)-3,4,5-trimethoxybenzamide.

Molecular Properties

Compound NameN-(1-benzofuran-2-ylmethyl)-N-(1-cyclohexyl-1-pyrrolidin-2-ylethyl)-3,4,5-trimethoxybenzamide
PubChem CID69103815
Molecular FormulaC31H40N2O5
Molecular Weight520.67 g/mol
Exact Mass520.29
IUPAC NameN-(1-benzofuran-2-ylmethyl)-N-(1-cyclohexyl-1-pyrrolidin-2-ylethyl)-3,4,5-trimethoxybenzamide
SMILESCOc1cc(C(=O)N(Cc2cc3ccccc3o2)C(C)(C2CCCCC2)C2CCCN2)cc(OC)c1OC
InChIInChI=1S/C31H40N2O5/c1-31(28-15-10-16-32-28,23-12-6-5-7-13-23)33(20-24-17-21-11-8-9-14-25(21)38-24)30(34)22-18-26(35-2)29(37-4)27(19-22)36-3/h8-9,11,14,17-19,23,28,32H,5-7,10,12-13,15-16,20H2,1-4H3
InChIKeyQZJXTZQOUJNFOZ-UHFFFAOYSA-N
XLogP6.19
TPSA73.17 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500520.67
LogP ≤ 56.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-(1-benzofuran-2-ylmethyl)-N-(1-cyclohexyl-1-pyrrolidin-2-ylethyl)-3,4,5-trimethoxybenzamide 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)-N-(1-cyclohexyl-1-pyrrolidin-2-ylethyl)-3,4,5-trimethoxybenzamide?
The IUPAC name of N-(1-benzofuran-2-ylmethyl)-N-(1-cyclohexyl-1-pyrrolidin-2-ylethyl)-3,4,5-trimethoxybenzamide (CID 69103815) is N-(1-benzofuran-2-ylmethyl)-N-(1-cyclohexyl-1-pyrrolidin-2-ylethyl)-3,4,5-trimethoxybenzamide.
What is the SMILES notation for N-(1-benzofuran-2-ylmethyl)-N-(1-cyclohexyl-1-pyrrolidin-2-ylethyl)-3,4,5-trimethoxybenzamide?
The canonical SMILES for N-(1-benzofuran-2-ylmethyl)-N-(1-cyclohexyl-1-pyrrolidin-2-ylethyl)-3,4,5-trimethoxybenzamide is COc1cc(C(=O)N(Cc2cc3ccccc3o2)C(C)(C2CCCCC2)C2CCCN2)cc(OC)c1OC.
What is the InChIKey of N-(1-benzofuran-2-ylmethyl)-N-(1-cyclohexyl-1-pyrrolidin-2-ylethyl)-3,4,5-trimethoxybenzamide?
The InChIKey is QZJXTZQOUJNFOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H40N2O5/c1-31(28-15-10-16-32-28,23-12-6-5-7-13-23)33(20-24-17-21-11-8-9-14-25(21)38-24)30(34)22-18-26(35-2)29(37-4)27(19-22)36-3/h8-9,11,14,17-19,23,28,32H,5-7,10,12-13,15-16,20H2,1-4H3.
What are the key properties of N-(1-benzofuran-2-ylmethyl)-N-(1-cyclohexyl-1-pyrrolidin-2-ylethyl)-3,4,5-trimethoxybenzamide?
N-(1-benzofuran-2-ylmethyl)-N-(1-cyclohexyl-1-pyrrolidin-2-ylethyl)-3,4,5-trimethoxybenzamide has a molecular weight of 520.67 g/mol, XLogP of 6.19, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-benzofuran-2-ylmethyl)-N-(1-cyclohexyl-1-pyrrolidin-2-ylethyl)-3,4,5-trimethoxybenzamide is sourced from PubChem (CID 69103815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).