N-[(4-methoxy-1H-indol-2-yl)methyl]propanamide

C13H16N2O2 — CID 10657206

IUPACN-[(4-methoxy-1H-indol-2-yl)methyl]propanamide
SMILESCCC(=O)NCc1cc2c(OC)cccc2[nH]1
InChIInChI=1S/C13H16N2O2/c1-3-13(16)14-8-9-7-10-11(15-9)5-4-6-12(10)17-2/h4-7,15H,3,8H2,1-2H3,(H,14,16)
InChIKeyYWPADYLLRUQSKO-UHFFFAOYSA-N
MW232.28 g/mol
LogP2.20
Rot. Bonds4

About N-[(4-methoxy-1H-indol-2-yl)methyl]propanamide

N-[(4-methoxy-1H-indol-2-yl)methyl]propanamide (PubChem CID 10657206) has the molecular formula C13H16N2O2 and a molecular weight of 232.28 g/mol. Its IUPAC name is N-[(4-methoxy-1H-indol-2-yl)methyl]propanamide.

Molecular Properties

Compound NameN-[(4-methoxy-1H-indol-2-yl)methyl]propanamide
PubChem CID10657206
Molecular FormulaC13H16N2O2
Molecular Weight232.28 g/mol
Exact Mass232.12
IUPAC NameN-[(4-methoxy-1H-indol-2-yl)methyl]propanamide
SMILESCCC(=O)NCc1cc2c(OC)cccc2[nH]1
InChIInChI=1S/C13H16N2O2/c1-3-13(16)14-8-9-7-10-11(15-9)5-4-6-12(10)17-2/h4-7,15H,3,8H2,1-2H3,(H,14,16)
InChIKeyYWPADYLLRUQSKO-UHFFFAOYSA-N
XLogP2.20
TPSA54.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.28
LogP ≤ 52.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[(4-methoxy-1H-indol-2-yl)methyl]propanamide?
The IUPAC name of N-[(4-methoxy-1H-indol-2-yl)methyl]propanamide (CID 10657206) is N-[(4-methoxy-1H-indol-2-yl)methyl]propanamide.
What is the SMILES notation for N-[(4-methoxy-1H-indol-2-yl)methyl]propanamide?
The canonical SMILES for N-[(4-methoxy-1H-indol-2-yl)methyl]propanamide is CCC(=O)NCc1cc2c(OC)cccc2[nH]1.
What is the InChIKey of N-[(4-methoxy-1H-indol-2-yl)methyl]propanamide?
The InChIKey is YWPADYLLRUQSKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O2/c1-3-13(16)14-8-9-7-10-11(15-9)5-4-6-12(10)17-2/h4-7,15H,3,8H2,1-2H3,(H,14,16).
What are the key properties of N-[(4-methoxy-1H-indol-2-yl)methyl]propanamide?
N-[(4-methoxy-1H-indol-2-yl)methyl]propanamide has a molecular weight of 232.28 g/mol, XLogP of 2.20, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-methoxy-1H-indol-2-yl)methyl]propanamide is sourced from PubChem (CID 10657206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).