3-(3,4-dimethoxyphenyl)-N-[1-(7-methoxy-1-benzofuran-2-yl)ethyl]propanamide

C22H25NO5 — CID 55588613

IUPAC3-(3,4-dimethoxyphenyl)-N-[1-(7-methoxy-1-benzofuran-2-yl)ethyl]propanamide
SMILESCOc1ccc(CCC(=O)NC(C)c2cc3cccc(OC)c3o2)cc1OC
InChIInChI=1S/C22H25NO5/c1-14(19-13-16-6-5-7-18(26-3)22(16)28-19)23-21(24)11-9-15-8-10-17(25-2)20(12-15)27-4/h5-8,10,12-14H,9,11H2,1-4H3,(H,23,24)
InChIKeyWBLXYJAOBYAJED-UHFFFAOYSA-N
MW383.44 g/mol
LogP4.27
Rot. Bonds8

About 3-(3,4-dimethoxyphenyl)-N-[1-(7-methoxy-1-benzofuran-2-yl)ethyl]propanamide

3-(3,4-dimethoxyphenyl)-N-[1-(7-methoxy-1-benzofuran-2-yl)ethyl]propanamide (PubChem CID 55588613) has the molecular formula C22H25NO5 and a molecular weight of 383.44 g/mol. Its IUPAC name is 3-(3,4-dimethoxyphenyl)-N-[1-(7-methoxy-1-benzofuran-2-yl)ethyl]propanamide.

Molecular Properties

Compound Name3-(3,4-dimethoxyphenyl)-N-[1-(7-methoxy-1-benzofuran-2-yl)ethyl]propanamide
PubChem CID55588613
Molecular FormulaC22H25NO5
Molecular Weight383.44 g/mol
Exact Mass383.17
IUPAC Name3-(3,4-dimethoxyphenyl)-N-[1-(7-methoxy-1-benzofuran-2-yl)ethyl]propanamide
SMILESCOc1ccc(CCC(=O)NC(C)c2cc3cccc(OC)c3o2)cc1OC
InChIInChI=1S/C22H25NO5/c1-14(19-13-16-6-5-7-18(26-3)22(16)28-19)23-21(24)11-9-15-8-10-17(25-2)20(12-15)27-4/h5-8,10,12-14H,9,11H2,1-4H3,(H,23,24)
InChIKeyWBLXYJAOBYAJED-UHFFFAOYSA-N
XLogP4.27
TPSA69.93 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.44
LogP ≤ 54.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-[4-(cyclopropylsulfamoyl)phenyl]-N-[1-(7-methoxy-1-benzofuran-2-yl)ethyl]propanamide
CID 55588325
3-(3,4-dimethoxyphenyl)-N-propan-2-ylpropanamide
CID 19220709
2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-[(1S)-1-(7-methoxy-1-benzofuran-2-yl)ethyl]acetamide
CID 33001757
N-[(1R)-1-(3,4-dimethoxyphenyl)ethyl]-7-methoxy-1-benzofuran-2-carboxamide
CID 94012379
N-[1-(2-bromophenyl)ethyl]-3-(3,4-dimethoxyphenyl)propanamide
CID 42999118
3-(3-ethyl-2-oxobenzimidazol-1-yl)-N-[1-(7-methoxy-1-benzofuran-2-yl)ethyl]propanamide
CID 55588775
N-[1-(7-methoxy-1-benzofuran-2-yl)ethyl]-3-methyl-1,2-oxazole-5-carboxamide
CID 47024453
4-amino-N-[1-(7-ethoxy-1-benzofuran-2-yl)ethyl]pentanamide
CID 120559371
2-[1-(7-methoxy-1-benzofuran-2-yl)ethylamino]oxyacetamide
CID 112672661
N-[1-(3,4-dimethoxyphenyl)ethyl]-3-(4-methylphenyl)propanamide
CID 43886279
(2R)-2-[3-(3,4-dimethoxyphenyl)propanoylamino]-2-phenylacetic acid
CID 119367699
N-[3-[1-(7-methoxy-1-benzofuran-2-yl)ethylamino]-3-oxo-1-phenylpropyl]benzamide
CID 55588391

Frequently Asked Questions

What is the IUPAC name of 3-(3,4-dimethoxyphenyl)-N-[1-(7-methoxy-1-benzofuran-2-yl)ethyl]propanamide?
The IUPAC name of 3-(3,4-dimethoxyphenyl)-N-[1-(7-methoxy-1-benzofuran-2-yl)ethyl]propanamide (CID 55588613) is 3-(3,4-dimethoxyphenyl)-N-[1-(7-methoxy-1-benzofuran-2-yl)ethyl]propanamide.
What is the SMILES notation for 3-(3,4-dimethoxyphenyl)-N-[1-(7-methoxy-1-benzofuran-2-yl)ethyl]propanamide?
The canonical SMILES for 3-(3,4-dimethoxyphenyl)-N-[1-(7-methoxy-1-benzofuran-2-yl)ethyl]propanamide is COc1ccc(CCC(=O)NC(C)c2cc3cccc(OC)c3o2)cc1OC.
What is the InChIKey of 3-(3,4-dimethoxyphenyl)-N-[1-(7-methoxy-1-benzofuran-2-yl)ethyl]propanamide?
The InChIKey is WBLXYJAOBYAJED-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25NO5/c1-14(19-13-16-6-5-7-18(26-3)22(16)28-19)23-21(24)11-9-15-8-10-17(25-2)20(12-15)27-4/h5-8,10,12-14H,9,11H2,1-4H3,(H,23,24).
What are the key properties of 3-(3,4-dimethoxyphenyl)-N-[1-(7-methoxy-1-benzofuran-2-yl)ethyl]propanamide?
3-(3,4-dimethoxyphenyl)-N-[1-(7-methoxy-1-benzofuran-2-yl)ethyl]propanamide has a molecular weight of 383.44 g/mol, XLogP of 4.27, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,4-dimethoxyphenyl)-N-[1-(7-methoxy-1-benzofuran-2-yl)ethyl]propanamide is sourced from PubChem (CID 55588613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).