2-(1-benzofuran-2-ylmethylamino)-N-cyclohexyl-3-(1H-indol-3-yl)propanamide

C26H29N3O2 — CID 18409629

IUPAC2-(1-benzofuran-2-ylmethylamino)-N-cyclohexyl-3-(1H-indol-3-yl)propanamide
SMILESO=C(NC1CCCCC1)C(Cc1c[nH]c2ccccc12)NCc1cc2ccccc2o1
InChIInChI=1S/C26H29N3O2/c30-26(29-20-9-2-1-3-10-20)24(15-19-16-27-23-12-6-5-11-22(19)23)28-17-21-14-18-8-4-7-13-25(18)31-21/h4-8,11-14,16,20,24,27-28H,1-3,9-10,15,17H2,(H,29,30)
InChIKeyQWCFOYZTTUIJFA-UHFFFAOYSA-N
MW415.54 g/mol
LogP5.06
Rot. Bonds7

About 2-(1-benzofuran-2-ylmethylamino)-N-cyclohexyl-3-(1H-indol-3-yl)propanamide

2-(1-benzofuran-2-ylmethylamino)-N-cyclohexyl-3-(1H-indol-3-yl)propanamide (PubChem CID 18409629) has the molecular formula C26H29N3O2 and a molecular weight of 415.54 g/mol. Its IUPAC name is 2-(1-benzofuran-2-ylmethylamino)-N-cyclohexyl-3-(1H-indol-3-yl)propanamide.

Molecular Properties

Compound Name2-(1-benzofuran-2-ylmethylamino)-N-cyclohexyl-3-(1H-indol-3-yl)propanamide
PubChem CID18409629
Molecular FormulaC26H29N3O2
Molecular Weight415.54 g/mol
Exact Mass415.23
IUPAC Name2-(1-benzofuran-2-ylmethylamino)-N-cyclohexyl-3-(1H-indol-3-yl)propanamide
SMILESO=C(NC1CCCCC1)C(Cc1c[nH]c2ccccc12)NCc1cc2ccccc2o1
InChIInChI=1S/C26H29N3O2/c30-26(29-20-9-2-1-3-10-20)24(15-19-16-27-23-12-6-5-11-22(19)23)28-17-21-14-18-8-4-7-13-25(18)31-21/h4-8,11-14,16,20,24,27-28H,1-3,9-10,15,17H2,(H,29,30)
InChIKeyQWCFOYZTTUIJFA-UHFFFAOYSA-N
XLogP5.06
TPSA70.06 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500415.54
LogP ≤ 55.06
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(1-benzofuran-2-ylmethylamino)-N-cyclohexyl-3-(1H-indol-3-yl)propanamide?
The IUPAC name of 2-(1-benzofuran-2-ylmethylamino)-N-cyclohexyl-3-(1H-indol-3-yl)propanamide (CID 18409629) is 2-(1-benzofuran-2-ylmethylamino)-N-cyclohexyl-3-(1H-indol-3-yl)propanamide.
What is the SMILES notation for 2-(1-benzofuran-2-ylmethylamino)-N-cyclohexyl-3-(1H-indol-3-yl)propanamide?
The canonical SMILES for 2-(1-benzofuran-2-ylmethylamino)-N-cyclohexyl-3-(1H-indol-3-yl)propanamide is O=C(NC1CCCCC1)C(Cc1c[nH]c2ccccc12)NCc1cc2ccccc2o1.
What is the InChIKey of 2-(1-benzofuran-2-ylmethylamino)-N-cyclohexyl-3-(1H-indol-3-yl)propanamide?
The InChIKey is QWCFOYZTTUIJFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H29N3O2/c30-26(29-20-9-2-1-3-10-20)24(15-19-16-27-23-12-6-5-11-22(19)23)28-17-21-14-18-8-4-7-13-25(18)31-21/h4-8,11-14,16,20,24,27-28H,1-3,9-10,15,17H2,(H,29,30).
What are the key properties of 2-(1-benzofuran-2-ylmethylamino)-N-cyclohexyl-3-(1H-indol-3-yl)propanamide?
2-(1-benzofuran-2-ylmethylamino)-N-cyclohexyl-3-(1H-indol-3-yl)propanamide has a molecular weight of 415.54 g/mol, XLogP of 5.06, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-benzofuran-2-ylmethylamino)-N-cyclohexyl-3-(1H-indol-3-yl)propanamide is sourced from PubChem (CID 18409629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).