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

C15H18N2O2 — CID 144559004

IUPACN-[1-(1H-indol-3-yl)-2-oxopropyl]-2-methylpropanamide
SMILESCC(=O)C(NC(=O)C(C)C)c1c[nH]c2ccccc12
InChIInChI=1S/C15H18N2O2/c1-9(2)15(19)17-14(10(3)18)12-8-16-13-7-5-4-6-11(12)13/h4-9,14,16H,1-3H3,(H,17,19)
InChIKeyWDBPCYSKBXEAAX-UHFFFAOYSA-N
MW258.32 g/mol
LogP2.57
Rot. Bonds4

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

N-[1-(1H-indol-3-yl)-2-oxopropyl]-2-methylpropanamide (PubChem CID 144559004) has the molecular formula C15H18N2O2 and a molecular weight of 258.32 g/mol. Its IUPAC name is N-[1-(1H-indol-3-yl)-2-oxopropyl]-2-methylpropanamide.

Molecular Properties

Compound NameN-[1-(1H-indol-3-yl)-2-oxopropyl]-2-methylpropanamide
PubChem CID144559004
Molecular FormulaC15H18N2O2
Molecular Weight258.32 g/mol
Exact Mass258.14
IUPAC NameN-[1-(1H-indol-3-yl)-2-oxopropyl]-2-methylpropanamide
SMILESCC(=O)C(NC(=O)C(C)C)c1c[nH]c2ccccc12
InChIInChI=1S/C15H18N2O2/c1-9(2)15(19)17-14(10(3)18)12-8-16-13-7-5-4-6-11(12)13/h4-9,14,16H,1-3H3,(H,17,19)
InChIKeyWDBPCYSKBXEAAX-UHFFFAOYSA-N
XLogP2.57
TPSA61.96 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.32
LogP ≤ 52.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-hydroxy-2-(1H-indol-3-yl)-N-methylacetamide
CID 83532275
2-(1H-indol-3-yl)-2-(methylamino)acetic acid
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2-(1H-indol-3-yl)-N',N'-dimethylpropanehydrazide
CID 116848099
3-(1H-indol-3-yl)-2-(2-methylpropanoylamino)propanoic acid
CID 582733
N-[1-(1H-indol-3-yl)ethyl]-N-methylacetamide
CID 50916095
3-propan-2-yl-1H-indole
CID 12534824
3-amino-3-(1H-indol-3-yl)-N,2-dimethylpropanamide
CID 59878227
(3R)-3-(1H-indol-3-yl)-2-oxobutanoic acid
CID 118796912
[(1R)-1-(1H-indol-3-yl)-2-methoxy-2-oxoethyl]azanium
CID 2374175
2-(1H-indol-3-yl)-3-methylbutanedioic acid
CID 57149405
tert-butyl N-[(1S)-1-(1H-indol-3-yl)ethyl]carbamate
CID 102157867
(2S,3S)-3-(1H-indol-3-yl)butan-2-ol
CID 130705083

Frequently Asked Questions

What is the IUPAC name of N-[1-(1H-indol-3-yl)-2-oxopropyl]-2-methylpropanamide?
The IUPAC name of N-[1-(1H-indol-3-yl)-2-oxopropyl]-2-methylpropanamide (CID 144559004) is N-[1-(1H-indol-3-yl)-2-oxopropyl]-2-methylpropanamide.
What is the SMILES notation for N-[1-(1H-indol-3-yl)-2-oxopropyl]-2-methylpropanamide?
The canonical SMILES for N-[1-(1H-indol-3-yl)-2-oxopropyl]-2-methylpropanamide is CC(=O)C(NC(=O)C(C)C)c1c[nH]c2ccccc12.
What is the InChIKey of N-[1-(1H-indol-3-yl)-2-oxopropyl]-2-methylpropanamide?
The InChIKey is WDBPCYSKBXEAAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O2/c1-9(2)15(19)17-14(10(3)18)12-8-16-13-7-5-4-6-11(12)13/h4-9,14,16H,1-3H3,(H,17,19).
What are the key properties of N-[1-(1H-indol-3-yl)-2-oxopropyl]-2-methylpropanamide?
N-[1-(1H-indol-3-yl)-2-oxopropyl]-2-methylpropanamide has a molecular weight of 258.32 g/mol, XLogP of 2.57, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(1H-indol-3-yl)-2-oxopropyl]-2-methylpropanamide is sourced from PubChem (CID 144559004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).