N-[2-(1H-indol-3-yl)ethyl]-2-methylpropanamide

C14H18N2O — CID 884747

IUPACN-[2-(1H-indol-3-yl)ethyl]-2-methylpropanamide
SMILESCC(C)C(=O)NCCc1c[nH]c2ccccc12
InChIInChI=1S/C14H18N2O/c1-10(2)14(17)15-8-7-11-9-16-13-6-4-3-5-12(11)13/h3-6,9-10,16H,7-8H2,1-2H3,(H,15,17)
InChIKeyGQUMPUJDSWEPNV-UHFFFAOYSA-N
MW230.31 g/mol
LogP2.48
Rot. Bonds4

About N-[2-(1H-indol-3-yl)ethyl]-2-methylpropanamide

N-[2-(1H-indol-3-yl)ethyl]-2-methylpropanamide (PubChem CID 884747) has the molecular formula C14H18N2O and a molecular weight of 230.31 g/mol. Its IUPAC name is N-[2-(1H-indol-3-yl)ethyl]-2-methylpropanamide.

Molecular Properties

Compound NameN-[2-(1H-indol-3-yl)ethyl]-2-methylpropanamide
PubChem CID884747
Molecular FormulaC14H18N2O
Molecular Weight230.31 g/mol
Exact Mass230.14
IUPAC NameN-[2-(1H-indol-3-yl)ethyl]-2-methylpropanamide
SMILESCC(C)C(=O)NCCc1c[nH]c2ccccc12
InChIInChI=1S/C14H18N2O/c1-10(2)14(17)15-8-7-11-9-16-13-6-4-3-5-12(11)13/h3-6,9-10,16H,7-8H2,1-2H3,(H,15,17)
InChIKeyGQUMPUJDSWEPNV-UHFFFAOYSA-N
XLogP2.48
TPSA44.89 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.31
LogP ≤ 52.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-[2-(1H-indol-3-yl)ethyl]-2-methylpropanamide?
The IUPAC name of N-[2-(1H-indol-3-yl)ethyl]-2-methylpropanamide (CID 884747) is N-[2-(1H-indol-3-yl)ethyl]-2-methylpropanamide.
What is the SMILES notation for N-[2-(1H-indol-3-yl)ethyl]-2-methylpropanamide?
The canonical SMILES for N-[2-(1H-indol-3-yl)ethyl]-2-methylpropanamide is CC(C)C(=O)NCCc1c[nH]c2ccccc12.
What is the InChIKey of N-[2-(1H-indol-3-yl)ethyl]-2-methylpropanamide?
The InChIKey is GQUMPUJDSWEPNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O/c1-10(2)14(17)15-8-7-11-9-16-13-6-4-3-5-12(11)13/h3-6,9-10,16H,7-8H2,1-2H3,(H,15,17).
What are the key properties of N-[2-(1H-indol-3-yl)ethyl]-2-methylpropanamide?
N-[2-(1H-indol-3-yl)ethyl]-2-methylpropanamide has a molecular weight of 230.31 g/mol, XLogP of 2.48, 4 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1H-indol-3-yl)ethyl]-2-methylpropanamide is sourced from PubChem (CID 884747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).