3-[2-[(3,4-dimethoxyphenyl)methyl]-2,3-dihydro-1-benzofuran-7-yl]-N-(2-pyrrolidin-1-ylethyl)benzamide

C30H34N2O4 — CID 59193967

IUPAC3-[2-[(3,4-dimethoxyphenyl)methyl]-2,3-dihydro-1-benzofuran-7-yl]-N-(2-pyrrolidin-1-ylethyl)benzamide
SMILESCOc1ccc(CC2Cc3cccc(-c4cccc(C(=O)NCCN5CCCC5)c4)c3O2)cc1OC
InChIInChI=1S/C30H34N2O4/c1-34-27-12-11-21(18-28(27)35-2)17-25-20-23-8-6-10-26(29(23)36-25)22-7-5-9-24(19-22)30(33)31-13-16-32-14-3-4-15-32/h5-12,18-19,25H,3-4,13-17,20H2,1-2H3,(H,31,33)
InChIKeyMRVHSUYQBOSIQJ-UHFFFAOYSA-N
MW486.61 g/mol
LogP4.74
Rot. Bonds9

About 3-[2-[(3,4-dimethoxyphenyl)methyl]-2,3-dihydro-1-benzofuran-7-yl]-N-(2-pyrrolidin-1-ylethyl)benzamide

3-[2-[(3,4-dimethoxyphenyl)methyl]-2,3-dihydro-1-benzofuran-7-yl]-N-(2-pyrrolidin-1-ylethyl)benzamide (PubChem CID 59193967) has the molecular formula C30H34N2O4 and a molecular weight of 486.61 g/mol. Its IUPAC name is 3-[2-[(3,4-dimethoxyphenyl)methyl]-2,3-dihydro-1-benzofuran-7-yl]-N-(2-pyrrolidin-1-ylethyl)benzamide.

Molecular Properties

Compound Name3-[2-[(3,4-dimethoxyphenyl)methyl]-2,3-dihydro-1-benzofuran-7-yl]-N-(2-pyrrolidin-1-ylethyl)benzamide
PubChem CID59193967
Molecular FormulaC30H34N2O4
Molecular Weight486.61 g/mol
Exact Mass486.25
IUPAC Name3-[2-[(3,4-dimethoxyphenyl)methyl]-2,3-dihydro-1-benzofuran-7-yl]-N-(2-pyrrolidin-1-ylethyl)benzamide
SMILESCOc1ccc(CC2Cc3cccc(-c4cccc(C(=O)NCCN5CCCC5)c4)c3O2)cc1OC
InChIInChI=1S/C30H34N2O4/c1-34-27-12-11-21(18-28(27)35-2)17-25-20-23-8-6-10-26(29(23)36-25)22-7-5-9-24(19-22)30(33)31-13-16-32-14-3-4-15-32/h5-12,18-19,25H,3-4,13-17,20H2,1-2H3,(H,31,33)
InChIKeyMRVHSUYQBOSIQJ-UHFFFAOYSA-N
XLogP4.74
TPSA60.03 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500486.61
LogP ≤ 54.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 3-[2-[(3,4-dimethoxyphenyl)methyl]-2,3-dihydro-1-benzofuran-7-yl]-N-(2-pyrrolidin-1-ylethyl)benzamide with MolForge

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

Launch Full Analysis

Related Compounds

3,4-dimethoxy-N-(2-piperidin-1-ylethyl)benzamide
CID 25237103
3-[2-[2-(3,4-dimethoxyphenyl)ethylamino]pyrimidin-4-yl]-N-(2-pyrrolidin-1-ylethyl)benzamide
CID 58103290
3-hydroxy-4-methoxy-N-(2-pyrrolidin-1-ylethyl)benzamide
CID 79725500
3-iodo-4-methoxy-N-(2-piperidin-1-ylethyl)benzamide
CID 10452834
3-(3,4-dimethoxyphenyl)-N-[[(2R)-7-(4,6-dimethylpyrimidin-2-yl)-2,3-dihydro-1-benzofuran-2-yl]methyl]propanamide
CID 42213797
N-[2-[4-(furan-2-carbonyl)piperazin-1-yl]ethyl]-3,4-dimethoxybenzamide
CID 110397663
4-(3-methoxy-4-pyridinyl)-N-(2-pyrrolidin-1-ylethyl)benzamide
CID 163310129
3,4,5-trimethoxy-N-[2-[4-(6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-yl)piperazin-1-yl]ethyl]benzamide
CID 10695574
N-[3-[2-(3,4-dimethoxyphenyl)ethylcarbamoyl]phenyl]-2,3,4,5-tetrahydro-1-benzazepine-1-carboxamide
CID 20943944
3-[2-[2-(4-methoxyphenyl)ethylamino]pyrimidin-4-yl]-N-(2-pyrrolidin-1-ylethyl)benzamide
CID 58103516
3,4-dimethyl-N-(2-piperidin-1-ylethyl)benzamide
CID 25237097
3,4-dimethoxy-N-[[4-(2-piperidin-1-ylethoxy)phenyl]methyl]benzamide
CID 3078820

Frequently Asked Questions

What is the IUPAC name of 3-[2-[(3,4-dimethoxyphenyl)methyl]-2,3-dihydro-1-benzofuran-7-yl]-N-(2-pyrrolidin-1-ylethyl)benzamide?
The IUPAC name of 3-[2-[(3,4-dimethoxyphenyl)methyl]-2,3-dihydro-1-benzofuran-7-yl]-N-(2-pyrrolidin-1-ylethyl)benzamide (CID 59193967) is 3-[2-[(3,4-dimethoxyphenyl)methyl]-2,3-dihydro-1-benzofuran-7-yl]-N-(2-pyrrolidin-1-ylethyl)benzamide.
What is the SMILES notation for 3-[2-[(3,4-dimethoxyphenyl)methyl]-2,3-dihydro-1-benzofuran-7-yl]-N-(2-pyrrolidin-1-ylethyl)benzamide?
The canonical SMILES for 3-[2-[(3,4-dimethoxyphenyl)methyl]-2,3-dihydro-1-benzofuran-7-yl]-N-(2-pyrrolidin-1-ylethyl)benzamide is COc1ccc(CC2Cc3cccc(-c4cccc(C(=O)NCCN5CCCC5)c4)c3O2)cc1OC.
What is the InChIKey of 3-[2-[(3,4-dimethoxyphenyl)methyl]-2,3-dihydro-1-benzofuran-7-yl]-N-(2-pyrrolidin-1-ylethyl)benzamide?
The InChIKey is MRVHSUYQBOSIQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H34N2O4/c1-34-27-12-11-21(18-28(27)35-2)17-25-20-23-8-6-10-26(29(23)36-25)22-7-5-9-24(19-22)30(33)31-13-16-32-14-3-4-15-32/h5-12,18-19,25H,3-4,13-17,20H2,1-2H3,(H,31,33).
What are the key properties of 3-[2-[(3,4-dimethoxyphenyl)methyl]-2,3-dihydro-1-benzofuran-7-yl]-N-(2-pyrrolidin-1-ylethyl)benzamide?
3-[2-[(3,4-dimethoxyphenyl)methyl]-2,3-dihydro-1-benzofuran-7-yl]-N-(2-pyrrolidin-1-ylethyl)benzamide has a molecular weight of 486.61 g/mol, XLogP of 4.74, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[(3,4-dimethoxyphenyl)methyl]-2,3-dihydro-1-benzofuran-7-yl]-N-(2-pyrrolidin-1-ylethyl)benzamide is sourced from PubChem (CID 59193967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).