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

C15H18N2O2 — CID 71492148

IUPACN-[2-(2-methyl-1H-indol-3-yl)ethyl]-3-oxobutanamide
SMILESCC(=O)CC(=O)NCCc1c(C)[nH]c2ccccc12
InChIInChI=1S/C15H18N2O2/c1-10(18)9-15(19)16-8-7-12-11(2)17-14-6-4-3-5-13(12)14/h3-6,17H,7-9H2,1-2H3,(H,16,19)
InChIKeyXYPRLKRYEMSGDG-UHFFFAOYSA-N
MW258.32 g/mol
LogP2.11
Rot. Bonds5

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

N-[2-(2-methyl-1H-indol-3-yl)ethyl]-3-oxobutanamide (PubChem CID 71492148) has the molecular formula C15H18N2O2 and a molecular weight of 258.32 g/mol. Its IUPAC name is N-[2-(2-methyl-1H-indol-3-yl)ethyl]-3-oxobutanamide.

Molecular Properties

Compound NameN-[2-(2-methyl-1H-indol-3-yl)ethyl]-3-oxobutanamide
PubChem CID71492148
Molecular FormulaC15H18N2O2
Molecular Weight258.32 g/mol
Exact Mass258.14
IUPAC NameN-[2-(2-methyl-1H-indol-3-yl)ethyl]-3-oxobutanamide
SMILESCC(=O)CC(=O)NCCc1c(C)[nH]c2ccccc12
InChIInChI=1S/C15H18N2O2/c1-10(18)9-15(19)16-8-7-12-11(2)17-14-6-4-3-5-13(12)14/h3-6,17H,7-9H2,1-2H3,(H,16,19)
InChIKeyXYPRLKRYEMSGDG-UHFFFAOYSA-N
XLogP2.11
TPSA61.96 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.32
LogP ≤ 52.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}, {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

N-[2-(2-methyl-1H-indol-3-yl)ethyl]propanamide
CID 110789052
2-(2-methyl-1H-indol-3-yl)ethylcarbamic acid
CID 115171128
2-cyano-N-[2-(2-methyl-1H-indol-3-yl)ethyl]acetamide
CID 115173271
2-(ethylamino)-N-[2-(2-methyl-1H-indol-3-yl)ethyl]acetamide
CID 115158041
2-methyl-N-[2-(2-methyl-1H-indol-3-yl)ethyl]propanamide
CID 110789053
[[8-[2-(2-methyl-1H-indol-3-yl)ethylamino]-8-oxooctanoyl]amino]oxidanium
CID 148932122
1-[2-(2-methyl-1H-indol-3-yl)ethyl]-3-phenylurea
CID 110775881
2-(2-methyl-1H-indol-3-yl)-N-(2-phenylethyl)acetamide
CID 31852687
5-(2-methyl-1H-indol-3-yl)pentan-2-one
CID 116927762
2-chloro-N-[2-(2-methyl-1H-indol-3-yl)ethyl]benzamide
CID 54776329
N'-[3-(2-methyl-1H-indol-3-yl)propyl]octanediamide
CID 167105628
4-(hydroxymethyl)-N-[2-(2-methyl-1H-indol-3-yl)ethyl]benzamide
CID 54776348

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-methyl-1H-indol-3-yl)ethyl]-3-oxobutanamide?
The IUPAC name of N-[2-(2-methyl-1H-indol-3-yl)ethyl]-3-oxobutanamide (CID 71492148) is N-[2-(2-methyl-1H-indol-3-yl)ethyl]-3-oxobutanamide.
What is the SMILES notation for N-[2-(2-methyl-1H-indol-3-yl)ethyl]-3-oxobutanamide?
The canonical SMILES for N-[2-(2-methyl-1H-indol-3-yl)ethyl]-3-oxobutanamide is CC(=O)CC(=O)NCCc1c(C)[nH]c2ccccc12.
What is the InChIKey of N-[2-(2-methyl-1H-indol-3-yl)ethyl]-3-oxobutanamide?
The InChIKey is XYPRLKRYEMSGDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O2/c1-10(18)9-15(19)16-8-7-12-11(2)17-14-6-4-3-5-13(12)14/h3-6,17H,7-9H2,1-2H3,(H,16,19).
What are the key properties of N-[2-(2-methyl-1H-indol-3-yl)ethyl]-3-oxobutanamide?
N-[2-(2-methyl-1H-indol-3-yl)ethyl]-3-oxobutanamide has a molecular weight of 258.32 g/mol, XLogP of 2.11, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-methyl-1H-indol-3-yl)ethyl]-3-oxobutanamide is sourced from PubChem (CID 71492148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).