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

C13H16N2O — CID 4152252

IUPACN-[(2-methyl-1H-indol-5-yl)methyl]propanamide
SMILESCCC(=O)NCc1ccc2[nH]c(C)cc2c1
InChIInChI=1S/C13H16N2O/c1-3-13(16)14-8-10-4-5-12-11(7-10)6-9(2)15-12/h4-7,15H,3,8H2,1-2H3,(H,14,16)
InChIKeyWRZCOYRGTLTAIT-UHFFFAOYSA-N
MW216.28 g/mol
LogP2.50
Rot. Bonds3

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

N-[(2-methyl-1H-indol-5-yl)methyl]propanamide (PubChem CID 4152252) has the molecular formula C13H16N2O and a molecular weight of 216.28 g/mol. Its IUPAC name is N-[(2-methyl-1H-indol-5-yl)methyl]propanamide.

Molecular Properties

Compound NameN-[(2-methyl-1H-indol-5-yl)methyl]propanamide
PubChem CID4152252
Molecular FormulaC13H16N2O
Molecular Weight216.28 g/mol
Exact Mass216.13
IUPAC NameN-[(2-methyl-1H-indol-5-yl)methyl]propanamide
SMILESCCC(=O)NCc1ccc2[nH]c(C)cc2c1
InChIInChI=1S/C13H16N2O/c1-3-13(16)14-8-10-4-5-12-11(7-10)6-9(2)15-12/h4-7,15H,3,8H2,1-2H3,(H,14,16)
InChIKeyWRZCOYRGTLTAIT-UHFFFAOYSA-N
XLogP2.50
TPSA44.89 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.28
LogP ≤ 52.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-[(2-methyl-1H-indol-5-yl)methyl]propanamide?
The IUPAC name of N-[(2-methyl-1H-indol-5-yl)methyl]propanamide (CID 4152252) is N-[(2-methyl-1H-indol-5-yl)methyl]propanamide.
What is the SMILES notation for N-[(2-methyl-1H-indol-5-yl)methyl]propanamide?
The canonical SMILES for N-[(2-methyl-1H-indol-5-yl)methyl]propanamide is CCC(=O)NCc1ccc2[nH]c(C)cc2c1.
What is the InChIKey of N-[(2-methyl-1H-indol-5-yl)methyl]propanamide?
The InChIKey is WRZCOYRGTLTAIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O/c1-3-13(16)14-8-10-4-5-12-11(7-10)6-9(2)15-12/h4-7,15H,3,8H2,1-2H3,(H,14,16).
What are the key properties of N-[(2-methyl-1H-indol-5-yl)methyl]propanamide?
N-[(2-methyl-1H-indol-5-yl)methyl]propanamide has a molecular weight of 216.28 g/mol, XLogP of 2.50, 3 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-methyl-1H-indol-5-yl)methyl]propanamide is sourced from PubChem (CID 4152252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).