N-[2-[(2,4-dimethoxyphenyl)-morpholin-4-ylmethyl]-1-benzofuran-3-yl]-4-methylbenzamide

C29H30N2O5 — CID 46270093

IUPACN-[2-[(2,4-dimethoxyphenyl)-morpholin-4-ylmethyl]-1-benzofuran-3-yl]-4-methylbenzamide
SMILESCOc1ccc(C(c2oc3ccccc3c2NC(=O)c2ccc(C)cc2)N2CCOCC2)c(OC)c1
InChIInChI=1S/C29H30N2O5/c1-19-8-10-20(11-9-19)29(32)30-26-22-6-4-5-7-24(22)36-28(26)27(31-14-16-35-17-15-31)23-13-12-21(33-2)18-25(23)34-3/h4-13,18,27H,14-17H2,1-3H3,(H,30,32)
InChIKeyUUXAHYLXSMCGLK-UHFFFAOYSA-N
MW486.57 g/mol
LogP5.43
Rot. Bonds7

About N-[2-[(2,4-dimethoxyphenyl)-morpholin-4-ylmethyl]-1-benzofuran-3-yl]-4-methylbenzamide

N-[2-[(2,4-dimethoxyphenyl)-morpholin-4-ylmethyl]-1-benzofuran-3-yl]-4-methylbenzamide (PubChem CID 46270093) has the molecular formula C29H30N2O5 and a molecular weight of 486.57 g/mol. Its IUPAC name is N-[2-[(2,4-dimethoxyphenyl)-morpholin-4-ylmethyl]-1-benzofuran-3-yl]-4-methylbenzamide.

Molecular Properties

Compound NameN-[2-[(2,4-dimethoxyphenyl)-morpholin-4-ylmethyl]-1-benzofuran-3-yl]-4-methylbenzamide
PubChem CID46270093
Molecular FormulaC29H30N2O5
Molecular Weight486.57 g/mol
Exact Mass486.22
IUPAC NameN-[2-[(2,4-dimethoxyphenyl)-morpholin-4-ylmethyl]-1-benzofuran-3-yl]-4-methylbenzamide
SMILESCOc1ccc(C(c2oc3ccccc3c2NC(=O)c2ccc(C)cc2)N2CCOCC2)c(OC)c1
InChIInChI=1S/C29H30N2O5/c1-19-8-10-20(11-9-19)29(32)30-26-22-6-4-5-7-24(22)36-28(26)27(31-14-16-35-17-15-31)23-13-12-21(33-2)18-25(23)34-3/h4-13,18,27H,14-17H2,1-3H3,(H,30,32)
InChIKeyUUXAHYLXSMCGLK-UHFFFAOYSA-N
XLogP5.43
TPSA73.17 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500486.57
LogP ≤ 55.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-[2-[(2,4-dimethoxyphenyl)-morpholin-4-ylmethyl]-1-benzofuran-3-yl]-4-methylbenzamide 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-[2-[(2,4-dimethoxyphenyl)-morpholin-4-ylmethyl]-1-benzofuran-3-yl]-4-methylbenzamide?
The IUPAC name of N-[2-[(2,4-dimethoxyphenyl)-morpholin-4-ylmethyl]-1-benzofuran-3-yl]-4-methylbenzamide (CID 46270093) is N-[2-[(2,4-dimethoxyphenyl)-morpholin-4-ylmethyl]-1-benzofuran-3-yl]-4-methylbenzamide.
What is the SMILES notation for N-[2-[(2,4-dimethoxyphenyl)-morpholin-4-ylmethyl]-1-benzofuran-3-yl]-4-methylbenzamide?
The canonical SMILES for N-[2-[(2,4-dimethoxyphenyl)-morpholin-4-ylmethyl]-1-benzofuran-3-yl]-4-methylbenzamide is COc1ccc(C(c2oc3ccccc3c2NC(=O)c2ccc(C)cc2)N2CCOCC2)c(OC)c1.
What is the InChIKey of N-[2-[(2,4-dimethoxyphenyl)-morpholin-4-ylmethyl]-1-benzofuran-3-yl]-4-methylbenzamide?
The InChIKey is UUXAHYLXSMCGLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H30N2O5/c1-19-8-10-20(11-9-19)29(32)30-26-22-6-4-5-7-24(22)36-28(26)27(31-14-16-35-17-15-31)23-13-12-21(33-2)18-25(23)34-3/h4-13,18,27H,14-17H2,1-3H3,(H,30,32).
What are the key properties of N-[2-[(2,4-dimethoxyphenyl)-morpholin-4-ylmethyl]-1-benzofuran-3-yl]-4-methylbenzamide?
N-[2-[(2,4-dimethoxyphenyl)-morpholin-4-ylmethyl]-1-benzofuran-3-yl]-4-methylbenzamide has a molecular weight of 486.57 g/mol, XLogP of 5.43, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(2,4-dimethoxyphenyl)-morpholin-4-ylmethyl]-1-benzofuran-3-yl]-4-methylbenzamide is sourced from PubChem (CID 46270093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).