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

C26H26N2O6 — CID 92500957

IUPACN-[2-[(R)-(2,3-dimethoxyphenyl)-morpholin-4-ylmethyl]-1-benzofuran-3-yl]furan-2-carboxamide
SMILESCOc1cccc([C@H](c2oc3ccccc3c2NC(=O)c2ccco2)N2CCOCC2)c1OC
InChIInChI=1S/C26H26N2O6/c1-30-20-10-5-8-18(24(20)31-2)23(28-12-15-32-16-13-28)25-22(17-7-3-4-9-19(17)34-25)27-26(29)21-11-6-14-33-21/h3-11,14,23H,12-13,15-16H2,1-2H3,(H,27,29)/t23-/m1/s1
InChIKeyFFCNNVWOPBOEDA-HSZRJFAPSA-N
MW462.50 g/mol
LogP4.72
Rot. Bonds7

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

N-[2-[(R)-(2,3-dimethoxyphenyl)-morpholin-4-ylmethyl]-1-benzofuran-3-yl]furan-2-carboxamide (PubChem CID 92500957) has the molecular formula C26H26N2O6 and a molecular weight of 462.50 g/mol. Its IUPAC name is N-[2-[(R)-(2,3-dimethoxyphenyl)-morpholin-4-ylmethyl]-1-benzofuran-3-yl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[2-[(R)-(2,3-dimethoxyphenyl)-morpholin-4-ylmethyl]-1-benzofuran-3-yl]furan-2-carboxamide
PubChem CID92500957
Molecular FormulaC26H26N2O6
Molecular Weight462.50 g/mol
Exact Mass462.18
IUPAC NameN-[2-[(R)-(2,3-dimethoxyphenyl)-morpholin-4-ylmethyl]-1-benzofuran-3-yl]furan-2-carboxamide
SMILESCOc1cccc([C@H](c2oc3ccccc3c2NC(=O)c2ccco2)N2CCOCC2)c1OC
InChIInChI=1S/C26H26N2O6/c1-30-20-10-5-8-18(24(20)31-2)23(28-12-15-32-16-13-28)25-22(17-7-3-4-9-19(17)34-25)27-26(29)21-11-6-14-33-21/h3-11,14,23H,12-13,15-16H2,1-2H3,(H,27,29)/t23-/m1/s1
InChIKeyFFCNNVWOPBOEDA-HSZRJFAPSA-N
XLogP4.72
TPSA86.31 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500462.50
LogP ≤ 54.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze N-[2-[(R)-(2,3-dimethoxyphenyl)-morpholin-4-ylmethyl]-1-benzofuran-3-yl]furan-2-carboxamide with MolForge

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Related Compounds

N-[2-[(R)-(2-methoxyphenyl)-morpholin-4-ylmethyl]-1-benzofuran-3-yl]benzamide
CID 92501051
N-[2-[(R)-(2-methoxyphenyl)-morpholin-4-ylmethyl]-1-benzofuran-3-yl]thiophene-2-carboxamide
CID 92500977
N-[2-[(4-chlorophenyl)-morpholin-4-ylmethyl]-1-benzofuran-3-yl]furan-2-carboxamide
CID 46269989
N-[2-[(S)-(2-methoxyphenyl)-(4-methylpiperazin-1-yl)methyl]-1-benzofuran-3-yl]benzamide
CID 92765199
N-[2-[(2,4-dimethoxyphenyl)-morpholin-4-ylmethyl]-1-benzofuran-3-yl]-4-methylbenzamide
CID 46270093
N-[2-[(R)-(4-bromophenyl)-piperidin-1-ylmethyl]-1-benzofuran-3-yl]furan-2-carboxamide
CID 92500941
N-[2-[(4-bromophenyl)-piperidin-1-ylmethyl]-1-benzofuran-3-yl]furan-2-carboxamide
CID 46270001
N-[3-[(2,3-dimethoxyphenyl)-(4-ethylpiperazin-1-yl)methyl]-5-ethylthiophen-2-yl]furan-2-carboxamide
CID 46740345
N-[2-[4-(furan-2-carbonyl)piperazine-1-carbonyl]-1-benzofuran-3-yl]-2-methoxybenzamide
CID 20925969
N-[2-[(S)-(3-chlorophenyl)-morpholin-4-ylmethyl]-1-benzofuran-3-yl]benzamide
CID 92501068
N-[2-[(4-methylsulfanylphenyl)-morpholin-4-ylmethyl]-1-benzofuran-3-yl]benzamide
CID 46270061
N-[3-[(2-methoxyphenyl)-(4-methylpiperazin-1-yl)methyl]-5-methylthiophen-2-yl]furan-2-carboxamide
CID 46740268

Frequently Asked Questions

What is the IUPAC name of N-[2-[(R)-(2,3-dimethoxyphenyl)-morpholin-4-ylmethyl]-1-benzofuran-3-yl]furan-2-carboxamide?
The IUPAC name of N-[2-[(R)-(2,3-dimethoxyphenyl)-morpholin-4-ylmethyl]-1-benzofuran-3-yl]furan-2-carboxamide (CID 92500957) is N-[2-[(R)-(2,3-dimethoxyphenyl)-morpholin-4-ylmethyl]-1-benzofuran-3-yl]furan-2-carboxamide.
What is the SMILES notation for N-[2-[(R)-(2,3-dimethoxyphenyl)-morpholin-4-ylmethyl]-1-benzofuran-3-yl]furan-2-carboxamide?
The canonical SMILES for N-[2-[(R)-(2,3-dimethoxyphenyl)-morpholin-4-ylmethyl]-1-benzofuran-3-yl]furan-2-carboxamide is COc1cccc([C@H](c2oc3ccccc3c2NC(=O)c2ccco2)N2CCOCC2)c1OC.
What is the InChIKey of N-[2-[(R)-(2,3-dimethoxyphenyl)-morpholin-4-ylmethyl]-1-benzofuran-3-yl]furan-2-carboxamide?
The InChIKey is FFCNNVWOPBOEDA-HSZRJFAPSA-N. The full InChI is InChI=1S/C26H26N2O6/c1-30-20-10-5-8-18(24(20)31-2)23(28-12-15-32-16-13-28)25-22(17-7-3-4-9-19(17)34-25)27-26(29)21-11-6-14-33-21/h3-11,14,23H,12-13,15-16H2,1-2H3,(H,27,29)/t23-/m1/s1.
What are the key properties of N-[2-[(R)-(2,3-dimethoxyphenyl)-morpholin-4-ylmethyl]-1-benzofuran-3-yl]furan-2-carboxamide?
N-[2-[(R)-(2,3-dimethoxyphenyl)-morpholin-4-ylmethyl]-1-benzofuran-3-yl]furan-2-carboxamide has a molecular weight of 462.50 g/mol, XLogP of 4.72, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(R)-(2,3-dimethoxyphenyl)-morpholin-4-ylmethyl]-1-benzofuran-3-yl]furan-2-carboxamide is sourced from PubChem (CID 92500957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).