3-(1H-indol-3-yl)-N-methyl-N-[(5-methylfuran-2-yl)methyl]propanamide

C18H20N2O2 — CID 4807502

IUPAC3-(1H-indol-3-yl)-N-methyl-N-[(5-methylfuran-2-yl)methyl]propanamide
SMILESCc1ccc(CN(C)C(=O)CCc2c[nH]c3ccccc23)o1
InChIInChI=1S/C18H20N2O2/c1-13-7-9-15(22-13)12-20(2)18(21)10-8-14-11-19-17-6-4-3-5-16(14)17/h3-7,9,11,19H,8,10,12H2,1-2H3
InChIKeyCAAPKUGDNNVPJI-UHFFFAOYSA-N
MW296.37 g/mol
LogP3.66
Rot. Bonds5

About 3-(1H-indol-3-yl)-N-methyl-N-[(5-methylfuran-2-yl)methyl]propanamide

3-(1H-indol-3-yl)-N-methyl-N-[(5-methylfuran-2-yl)methyl]propanamide (PubChem CID 4807502) has the molecular formula C18H20N2O2 and a molecular weight of 296.37 g/mol. Its IUPAC name is 3-(1H-indol-3-yl)-N-methyl-N-[(5-methylfuran-2-yl)methyl]propanamide.

Molecular Properties

Compound Name3-(1H-indol-3-yl)-N-methyl-N-[(5-methylfuran-2-yl)methyl]propanamide
PubChem CID4807502
Molecular FormulaC18H20N2O2
Molecular Weight296.37 g/mol
Exact Mass296.15
IUPAC Name3-(1H-indol-3-yl)-N-methyl-N-[(5-methylfuran-2-yl)methyl]propanamide
SMILESCc1ccc(CN(C)C(=O)CCc2c[nH]c3ccccc23)o1
InChIInChI=1S/C18H20N2O2/c1-13-7-9-15(22-13)12-20(2)18(21)10-8-14-11-19-17-6-4-3-5-16(14)17/h3-7,9,11,19H,8,10,12H2,1-2H3
InChIKeyCAAPKUGDNNVPJI-UHFFFAOYSA-N
XLogP3.66
TPSA49.24 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.37
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(1H-indol-3-yl)-N-methyl-N-[(5-methylfuran-2-yl)methyl]propanamide?
The IUPAC name of 3-(1H-indol-3-yl)-N-methyl-N-[(5-methylfuran-2-yl)methyl]propanamide (CID 4807502) is 3-(1H-indol-3-yl)-N-methyl-N-[(5-methylfuran-2-yl)methyl]propanamide.
What is the SMILES notation for 3-(1H-indol-3-yl)-N-methyl-N-[(5-methylfuran-2-yl)methyl]propanamide?
The canonical SMILES for 3-(1H-indol-3-yl)-N-methyl-N-[(5-methylfuran-2-yl)methyl]propanamide is Cc1ccc(CN(C)C(=O)CCc2c[nH]c3ccccc23)o1.
What is the InChIKey of 3-(1H-indol-3-yl)-N-methyl-N-[(5-methylfuran-2-yl)methyl]propanamide?
The InChIKey is CAAPKUGDNNVPJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O2/c1-13-7-9-15(22-13)12-20(2)18(21)10-8-14-11-19-17-6-4-3-5-16(14)17/h3-7,9,11,19H,8,10,12H2,1-2H3.
What are the key properties of 3-(1H-indol-3-yl)-N-methyl-N-[(5-methylfuran-2-yl)methyl]propanamide?
3-(1H-indol-3-yl)-N-methyl-N-[(5-methylfuran-2-yl)methyl]propanamide has a molecular weight of 296.37 g/mol, XLogP of 3.66, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1H-indol-3-yl)-N-methyl-N-[(5-methylfuran-2-yl)methyl]propanamide is sourced from PubChem (CID 4807502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).