N-[2-(2-methylindol-1-yl)ethyl]propanamide

C14H18N2O — CID 4652371

IUPACN-[2-(2-methylindol-1-yl)ethyl]propanamide
SMILESCCC(=O)NCCn1c(C)cc2ccccc21
InChIInChI=1S/C14H18N2O/c1-3-14(17)15-8-9-16-11(2)10-12-6-4-5-7-13(12)16/h4-7,10H,3,8-9H2,1-2H3,(H,15,17)
InChIKeyXPSXNFMXKDKSLZ-UHFFFAOYSA-N
MW230.31 g/mol
LogP2.48
Rot. Bonds4

About N-[2-(2-methylindol-1-yl)ethyl]propanamide

N-[2-(2-methylindol-1-yl)ethyl]propanamide (PubChem CID 4652371) has the molecular formula C14H18N2O and a molecular weight of 230.31 g/mol. Its IUPAC name is N-[2-(2-methylindol-1-yl)ethyl]propanamide.

Molecular Properties

Compound NameN-[2-(2-methylindol-1-yl)ethyl]propanamide
PubChem CID4652371
Molecular FormulaC14H18N2O
Molecular Weight230.31 g/mol
Exact Mass230.14
IUPAC NameN-[2-(2-methylindol-1-yl)ethyl]propanamide
SMILESCCC(=O)NCCn1c(C)cc2ccccc21
InChIInChI=1S/C14H18N2O/c1-3-14(17)15-8-9-16-11(2)10-12-6-4-5-7-13(12)16/h4-7,10H,3,8-9H2,1-2H3,(H,15,17)
InChIKeyXPSXNFMXKDKSLZ-UHFFFAOYSA-N
XLogP2.48
TPSA34.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.31
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[2-(2-methylindol-1-yl)ethyl]propanamide?
The IUPAC name of N-[2-(2-methylindol-1-yl)ethyl]propanamide (CID 4652371) is N-[2-(2-methylindol-1-yl)ethyl]propanamide.
What is the SMILES notation for N-[2-(2-methylindol-1-yl)ethyl]propanamide?
The canonical SMILES for N-[2-(2-methylindol-1-yl)ethyl]propanamide is CCC(=O)NCCn1c(C)cc2ccccc21.
What is the InChIKey of N-[2-(2-methylindol-1-yl)ethyl]propanamide?
The InChIKey is XPSXNFMXKDKSLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O/c1-3-14(17)15-8-9-16-11(2)10-12-6-4-5-7-13(12)16/h4-7,10H,3,8-9H2,1-2H3,(H,15,17).
What are the key properties of N-[2-(2-methylindol-1-yl)ethyl]propanamide?
N-[2-(2-methylindol-1-yl)ethyl]propanamide has a molecular weight of 230.31 g/mol, XLogP of 2.48, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-methylindol-1-yl)ethyl]propanamide is sourced from PubChem (CID 4652371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).