N-[2-(3,4-dimethoxyphenyl)-2-morpholin-4-ylethyl]-2-(6-methyl-5-propan-2-yl-1-benzofuran-3-yl)acetamide

C28H36N2O5 — CID 55382974

IUPACN-[2-(3,4-dimethoxyphenyl)-2-morpholin-4-ylethyl]-2-(6-methyl-5-propan-2-yl-1-benzofuran-3-yl)acetamide
SMILESCOc1ccc(C(CNC(=O)Cc2coc3cc(C)c(C(C)C)cc23)N2CCOCC2)cc1OC
InChIInChI=1S/C28H36N2O5/c1-18(2)22-15-23-21(17-35-26(23)12-19(22)3)14-28(31)29-16-24(30-8-10-34-11-9-30)20-6-7-25(32-4)27(13-20)33-5/h6-7,12-13,15,17-18,24H,8-11,14,16H2,1-5H3,(H,29,31)
InChIKeyZWAVUSYLCNUGJW-UHFFFAOYSA-N
MW480.61 g/mol
LogP4.61
Rot. Bonds9

About N-[2-(3,4-dimethoxyphenyl)-2-morpholin-4-ylethyl]-2-(6-methyl-5-propan-2-yl-1-benzofuran-3-yl)acetamide

N-[2-(3,4-dimethoxyphenyl)-2-morpholin-4-ylethyl]-2-(6-methyl-5-propan-2-yl-1-benzofuran-3-yl)acetamide (PubChem CID 55382974) has the molecular formula C28H36N2O5 and a molecular weight of 480.61 g/mol. Its IUPAC name is N-[2-(3,4-dimethoxyphenyl)-2-morpholin-4-ylethyl]-2-(6-methyl-5-propan-2-yl-1-benzofuran-3-yl)acetamide.

Molecular Properties

Compound NameN-[2-(3,4-dimethoxyphenyl)-2-morpholin-4-ylethyl]-2-(6-methyl-5-propan-2-yl-1-benzofuran-3-yl)acetamide
PubChem CID55382974
Molecular FormulaC28H36N2O5
Molecular Weight480.61 g/mol
Exact Mass480.26
IUPAC NameN-[2-(3,4-dimethoxyphenyl)-2-morpholin-4-ylethyl]-2-(6-methyl-5-propan-2-yl-1-benzofuran-3-yl)acetamide
SMILESCOc1ccc(C(CNC(=O)Cc2coc3cc(C)c(C(C)C)cc23)N2CCOCC2)cc1OC
InChIInChI=1S/C28H36N2O5/c1-18(2)22-15-23-21(17-35-26(23)12-19(22)3)14-28(31)29-16-24(30-8-10-34-11-9-30)20-6-7-25(32-4)27(13-20)33-5/h6-7,12-13,15,17-18,24H,8-11,14,16H2,1-5H3,(H,29,31)
InChIKeyZWAVUSYLCNUGJW-UHFFFAOYSA-N
XLogP4.61
TPSA73.17 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500480.61
LogP ≤ 54.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[2-(3,4-dimethoxyphenyl)-2-morpholin-4-ylethyl]-2-(2-methylphenyl)acetamide
CID 51200983
N-[2-[[2-(3,4-dimethoxyphenyl)-2-morpholin-4-ylethyl]amino]-2-oxoethyl]-3,4-dimethylbenzamide
CID 24646997
N-[2-(3,4-dimethoxyphenyl)-2-morpholin-4-ylethyl]-2-(1H-indol-3-yl)acetamide
CID 46517704
N-[(2S)-2-(3,4-dimethoxyphenyl)-2-morpholin-4-ylethyl]-4-methylbenzamide
CID 25484973
N-[2-(3,4-dimethoxyphenyl)-2-morpholin-4-ylethyl]-2-(4-fluorophenyl)sulfanylacetamide
CID 55382953
N-[2-(3,4-dimethoxyphenyl)-2-morpholin-4-ylethyl]-3-(4-fluorophenyl)butanamide
CID 55924740
N-[(2R)-2-(3,4-dimethoxyphenyl)-2-morpholin-4-ylethyl]pent-4-enamide
CID 95285110
4-chloro-N-[3-[[2-(3,4-dimethoxyphenyl)-2-morpholin-4-ylethyl]amino]-3-oxopropyl]benzamide
CID 43019504
N-[(2S)-2-(3,4-dimethoxyphenyl)-2-morpholin-4-ylethyl]-2,2,2-trifluoroacetamide
CID 52536756
N-[(2R)-2-(3,4-dimethoxyphenyl)-2-morpholin-4-ylethyl]-3-phenylpropanamide
CID 25487273
N-[2-(3,4-dimethoxyphenyl)-2-morpholin-4-ylethyl]-4-(methylamino)butanamide;dihydrochloride
CID 119830133
2-(2-chloro-6-fluorophenyl)-N-[2-(3,4-dimethoxyphenyl)-2-morpholin-4-ylethyl]acetamide
CID 24646941

Frequently Asked Questions

What is the IUPAC name of N-[2-(3,4-dimethoxyphenyl)-2-morpholin-4-ylethyl]-2-(6-methyl-5-propan-2-yl-1-benzofuran-3-yl)acetamide?
The IUPAC name of N-[2-(3,4-dimethoxyphenyl)-2-morpholin-4-ylethyl]-2-(6-methyl-5-propan-2-yl-1-benzofuran-3-yl)acetamide (CID 55382974) is N-[2-(3,4-dimethoxyphenyl)-2-morpholin-4-ylethyl]-2-(6-methyl-5-propan-2-yl-1-benzofuran-3-yl)acetamide.
What is the SMILES notation for N-[2-(3,4-dimethoxyphenyl)-2-morpholin-4-ylethyl]-2-(6-methyl-5-propan-2-yl-1-benzofuran-3-yl)acetamide?
The canonical SMILES for N-[2-(3,4-dimethoxyphenyl)-2-morpholin-4-ylethyl]-2-(6-methyl-5-propan-2-yl-1-benzofuran-3-yl)acetamide is COc1ccc(C(CNC(=O)Cc2coc3cc(C)c(C(C)C)cc23)N2CCOCC2)cc1OC.
What is the InChIKey of N-[2-(3,4-dimethoxyphenyl)-2-morpholin-4-ylethyl]-2-(6-methyl-5-propan-2-yl-1-benzofuran-3-yl)acetamide?
The InChIKey is ZWAVUSYLCNUGJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H36N2O5/c1-18(2)22-15-23-21(17-35-26(23)12-19(22)3)14-28(31)29-16-24(30-8-10-34-11-9-30)20-6-7-25(32-4)27(13-20)33-5/h6-7,12-13,15,17-18,24H,8-11,14,16H2,1-5H3,(H,29,31).
What are the key properties of N-[2-(3,4-dimethoxyphenyl)-2-morpholin-4-ylethyl]-2-(6-methyl-5-propan-2-yl-1-benzofuran-3-yl)acetamide?
N-[2-(3,4-dimethoxyphenyl)-2-morpholin-4-ylethyl]-2-(6-methyl-5-propan-2-yl-1-benzofuran-3-yl)acetamide has a molecular weight of 480.61 g/mol, XLogP of 4.61, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3,4-dimethoxyphenyl)-2-morpholin-4-ylethyl]-2-(6-methyl-5-propan-2-yl-1-benzofuran-3-yl)acetamide is sourced from PubChem (CID 55382974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).