N-[1-(1H-indol-5-yl)-2-methoxyethyl]-2-(6-methoxy-2,3-dihydro-1-benzofuran-3-yl)acetamide

C22H24N2O4 — CID 167828514

IUPACN-[1-(1H-indol-5-yl)-2-methoxyethyl]-2-(6-methoxy-2,3-dihydro-1-benzofuran-3-yl)acetamide
SMILESCOCC(NC(=O)CC1COc2cc(OC)ccc21)c1ccc2[nH]ccc2c1
InChIInChI=1S/C22H24N2O4/c1-26-13-20(14-3-6-19-15(9-14)7-8-23-19)24-22(25)10-16-12-28-21-11-17(27-2)4-5-18(16)21/h3-9,11,16,20,23H,10,12-13H2,1-2H3,(H,24,25)
InChIKeyJJYZATPHDXRYOI-UHFFFAOYSA-N
MW380.44 g/mol
LogP3.55
Rot. Bonds7

About N-[1-(1H-indol-5-yl)-2-methoxyethyl]-2-(6-methoxy-2,3-dihydro-1-benzofuran-3-yl)acetamide

N-[1-(1H-indol-5-yl)-2-methoxyethyl]-2-(6-methoxy-2,3-dihydro-1-benzofuran-3-yl)acetamide (PubChem CID 167828514) has the molecular formula C22H24N2O4 and a molecular weight of 380.44 g/mol. Its IUPAC name is N-[1-(1H-indol-5-yl)-2-methoxyethyl]-2-(6-methoxy-2,3-dihydro-1-benzofuran-3-yl)acetamide.

Molecular Properties

Compound NameN-[1-(1H-indol-5-yl)-2-methoxyethyl]-2-(6-methoxy-2,3-dihydro-1-benzofuran-3-yl)acetamide
PubChem CID167828514
Molecular FormulaC22H24N2O4
Molecular Weight380.44 g/mol
Exact Mass380.17
IUPAC NameN-[1-(1H-indol-5-yl)-2-methoxyethyl]-2-(6-methoxy-2,3-dihydro-1-benzofuran-3-yl)acetamide
SMILESCOCC(NC(=O)CC1COc2cc(OC)ccc21)c1ccc2[nH]ccc2c1
InChIInChI=1S/C22H24N2O4/c1-26-13-20(14-3-6-19-15(9-14)7-8-23-19)24-22(25)10-16-12-28-21-11-17(27-2)4-5-18(16)21/h3-9,11,16,20,23H,10,12-13H2,1-2H3,(H,24,25)
InChIKeyJJYZATPHDXRYOI-UHFFFAOYSA-N
XLogP3.55
TPSA72.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.44
LogP ≤ 53.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-[1-(1H-indol-5-yl)-2-methoxyethyl]-2-(6-methoxy-2,3-dihydro-1-benzofuran-3-yl)acetamide with MolForge

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Related Compounds

1-(1H-indol-5-yl)-2-methoxyethanamine
CID 55270804
[(3R)-6-methoxy-2,3-dihydro-1-benzofuran-3-yl]methanol
CID 67361681
1H-indol-5-yl-(3-methoxyphenyl)methanol
CID 81444817
1-[1-(1H-indol-5-yl)-2-methoxyethyl]-3-(2-methylimidazo[1,2-a]pyridin-6-yl)urea
CID 166364308
1-(6-methoxy-2,3-dihydro-1-benzofuran-3-yl)-N-methylmethanamine
CID 83753180
2-[(3R)-6-(methoxymethoxy)-2,3-dihydro-1-benzofuran-3-yl]acetic acid
CID 125300617
2-[(3S)-5-methoxy-2,3-dihydro-1-benzofuran-3-yl]acetic acid
CID 129361652
3-(1H-indol-6-yl)-3-(3-methoxyphenyl)-N-methylpropanamide
CID 59831810
1-(5-methoxy-2,3-dihydro-1-benzofuran-3-yl)propan-2-one
CID 117202321
N-[1-(4-methoxyphenyl)propyl]-2-piperidin-4-ylacetamide
CID 61029711
3-(3,4-dimethoxyphenyl)-3-[3-(1H-indol-5-yl)propanoylamino]propanoic acid
CID 120512445
N-(1H-indol-5-yl)-3-(3-methoxyphenyl)propanamide
CID 110730751

Frequently Asked Questions

What is the IUPAC name of N-[1-(1H-indol-5-yl)-2-methoxyethyl]-2-(6-methoxy-2,3-dihydro-1-benzofuran-3-yl)acetamide?
The IUPAC name of N-[1-(1H-indol-5-yl)-2-methoxyethyl]-2-(6-methoxy-2,3-dihydro-1-benzofuran-3-yl)acetamide (CID 167828514) is N-[1-(1H-indol-5-yl)-2-methoxyethyl]-2-(6-methoxy-2,3-dihydro-1-benzofuran-3-yl)acetamide.
What is the SMILES notation for N-[1-(1H-indol-5-yl)-2-methoxyethyl]-2-(6-methoxy-2,3-dihydro-1-benzofuran-3-yl)acetamide?
The canonical SMILES for N-[1-(1H-indol-5-yl)-2-methoxyethyl]-2-(6-methoxy-2,3-dihydro-1-benzofuran-3-yl)acetamide is COCC(NC(=O)CC1COc2cc(OC)ccc21)c1ccc2[nH]ccc2c1.
What is the InChIKey of N-[1-(1H-indol-5-yl)-2-methoxyethyl]-2-(6-methoxy-2,3-dihydro-1-benzofuran-3-yl)acetamide?
The InChIKey is JJYZATPHDXRYOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N2O4/c1-26-13-20(14-3-6-19-15(9-14)7-8-23-19)24-22(25)10-16-12-28-21-11-17(27-2)4-5-18(16)21/h3-9,11,16,20,23H,10,12-13H2,1-2H3,(H,24,25).
What are the key properties of N-[1-(1H-indol-5-yl)-2-methoxyethyl]-2-(6-methoxy-2,3-dihydro-1-benzofuran-3-yl)acetamide?
N-[1-(1H-indol-5-yl)-2-methoxyethyl]-2-(6-methoxy-2,3-dihydro-1-benzofuran-3-yl)acetamide has a molecular weight of 380.44 g/mol, XLogP of 3.55, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(1H-indol-5-yl)-2-methoxyethyl]-2-(6-methoxy-2,3-dihydro-1-benzofuran-3-yl)acetamide is sourced from PubChem (CID 167828514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).