N-[2-(1H-indol-3-yl)ethyl]-4-methyl-2-oxopentanamide

C16H20N2O2 — CID 20668757

IUPACN-[2-(1H-indol-3-yl)ethyl]-4-methyl-2-oxopentanamide
SMILESCC(C)CC(=O)C(=O)NCCc1c[nH]c2ccccc12
InChIInChI=1S/C16H20N2O2/c1-11(2)9-15(19)16(20)17-8-7-12-10-18-14-6-4-3-5-13(12)14/h3-6,10-11,18H,7-9H2,1-2H3,(H,17,20)
InChIKeyXINIKMGOHGJNIH-UHFFFAOYSA-N
MW272.35 g/mol
LogP2.44
Rot. Bonds6

About N-[2-(1H-indol-3-yl)ethyl]-4-methyl-2-oxopentanamide

N-[2-(1H-indol-3-yl)ethyl]-4-methyl-2-oxopentanamide (PubChem CID 20668757) has the molecular formula C16H20N2O2 and a molecular weight of 272.35 g/mol. Its IUPAC name is N-[2-(1H-indol-3-yl)ethyl]-4-methyl-2-oxopentanamide.

Molecular Properties

Compound NameN-[2-(1H-indol-3-yl)ethyl]-4-methyl-2-oxopentanamide
PubChem CID20668757
Molecular FormulaC16H20N2O2
Molecular Weight272.35 g/mol
Exact Mass272.15
IUPAC NameN-[2-(1H-indol-3-yl)ethyl]-4-methyl-2-oxopentanamide
SMILESCC(C)CC(=O)C(=O)NCCc1c[nH]c2ccccc12
InChIInChI=1S/C16H20N2O2/c1-11(2)9-15(19)16(20)17-8-7-12-10-18-14-6-4-3-5-13(12)14/h3-6,10-11,18H,7-9H2,1-2H3,(H,17,20)
InChIKeyXINIKMGOHGJNIH-UHFFFAOYSA-N
XLogP2.44
TPSA61.96 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.35
LogP ≤ 52.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Related Compounds

N-[2-(1H-indol-3-yl)ethyl]-N'-propan-2-yloxamide
CID 2026350
(2S)-2-amino-N-[2-(1H-indol-3-yl)ethyl]propanamide;hydrochloride
CID 119263369
4-[2-(1H-indol-3-yl)ethylamino]-2,3-dimethyl-4-oxobutanoic acid
CID 103496413
ethyl 2-[2-(1H-indol-3-yl)ethylamino]-2-oxoacetate
CID 28710187
N-[2-(1H-indol-3-yl)ethyl]-2-(propan-2-ylcarbamoylamino)acetamide
CID 112993944
3-bromo-2-(bromomethyl)-N-[2-(1H-indol-3-yl)ethyl]propanamide
CID 100943042
N-[2-(1H-indol-3-yl)ethyl]-4-methyl-2-pyrrol-1-ylpentanamide
CID 163091654
1-N,4-N-bis[2-(1H-indol-3-yl)ethyl]benzene-1,4-dicarboxamide
CID 42988811
3-(1H-indol-3-yl)-N-[2-(1H-indol-3-yl)ethyl]propanamide
CID 10664257
1-(3-hydroxy-4-methylpentyl)-3-[2-(1H-indol-3-yl)ethyl]urea
CID 111503815
N'-(2,6-diethylphenyl)-N-[2-(1H-indol-3-yl)ethyl]oxamide
CID 108511537
1-N-[2-(1H-indol-3-yl)ethyl]-1-N'-(3-methylbutyl)cyclopropane-1,1-dicarboxamide
CID 108978254

Frequently Asked Questions

What is the IUPAC name of N-[2-(1H-indol-3-yl)ethyl]-4-methyl-2-oxopentanamide?
The IUPAC name of N-[2-(1H-indol-3-yl)ethyl]-4-methyl-2-oxopentanamide (CID 20668757) is N-[2-(1H-indol-3-yl)ethyl]-4-methyl-2-oxopentanamide.
What is the SMILES notation for N-[2-(1H-indol-3-yl)ethyl]-4-methyl-2-oxopentanamide?
The canonical SMILES for N-[2-(1H-indol-3-yl)ethyl]-4-methyl-2-oxopentanamide is CC(C)CC(=O)C(=O)NCCc1c[nH]c2ccccc12.
What is the InChIKey of N-[2-(1H-indol-3-yl)ethyl]-4-methyl-2-oxopentanamide?
The InChIKey is XINIKMGOHGJNIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O2/c1-11(2)9-15(19)16(20)17-8-7-12-10-18-14-6-4-3-5-13(12)14/h3-6,10-11,18H,7-9H2,1-2H3,(H,17,20).
What are the key properties of N-[2-(1H-indol-3-yl)ethyl]-4-methyl-2-oxopentanamide?
N-[2-(1H-indol-3-yl)ethyl]-4-methyl-2-oxopentanamide has a molecular weight of 272.35 g/mol, XLogP of 2.44, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1H-indol-3-yl)ethyl]-4-methyl-2-oxopentanamide is sourced from PubChem (CID 20668757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).