2-(1H-indol-3-yl)-N,N-dimethylbutanamide

C14H18N2O — CID 166107005

IUPAC2-(1H-indol-3-yl)-N,N-dimethylbutanamide
SMILESCCC(C(=O)N(C)C)c1c[nH]c2ccccc12
InChIInChI=1S/C14H18N2O/c1-4-10(14(17)16(2)3)12-9-15-13-8-6-5-7-11(12)13/h5-10,15H,4H2,1-3H3
InChIKeyMXWBSLKGAJYKMW-UHFFFAOYSA-N
MW230.31 g/mol
LogP2.75
Rot. Bonds3

About 2-(1H-indol-3-yl)-N,N-dimethylbutanamide

2-(1H-indol-3-yl)-N,N-dimethylbutanamide (PubChem CID 166107005) has the molecular formula C14H18N2O and a molecular weight of 230.31 g/mol. Its IUPAC name is 2-(1H-indol-3-yl)-N,N-dimethylbutanamide.

Molecular Properties

Compound Name2-(1H-indol-3-yl)-N,N-dimethylbutanamide
PubChem CID166107005
Molecular FormulaC14H18N2O
Molecular Weight230.31 g/mol
Exact Mass230.14
IUPAC Name2-(1H-indol-3-yl)-N,N-dimethylbutanamide
SMILESCCC(C(=O)N(C)C)c1c[nH]c2ccccc12
InChIInChI=1S/C14H18N2O/c1-4-10(14(17)16(2)3)12-9-15-13-8-6-5-7-11(12)13/h5-10,15H,4H2,1-3H3
InChIKeyMXWBSLKGAJYKMW-UHFFFAOYSA-N
XLogP2.75
TPSA36.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.31
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

chloro 2-(1H-indol-3-yl)butanoate
CID 174769517
2-[dimethylamino(1H-indol-3-yl)methyl]butanoic acid
CID 116913114
2-(1H-indol-3-yl)-4-methylpentanoic acid
CID 83644825
(3S)-3-(1H-indol-3-yl)pentanoic acid
CID 7446864
3-(1H-indol-3-yl)pentanoic acid
CID 12616752
2-(1H-indol-3-yl)butanedioic acid
CID 588708
methyl 3-amino-2-(1H-indol-3-yl)propanoate
CID 11470824
ethyl 3-amino-2-(1H-indol-3-yl)-3-oxopropanoate
CID 67232223
N-[1-(1H-indol-3-yl)ethyl]-N-methylacetamide
CID 50916095
[(2S)-1-(dimethylamino)-3-(1H-indol-3-yl)-1-oxopropan-2-yl]azanium chloride
CID 10516015
ethyl 2-(1H-indol-3-yl)-4-oxobutanoate
CID 75252498
3-(1H-indol-3-yl)-2-methoxy-N,N-dimethylpropanamide
CID 163055572

Frequently Asked Questions

What is the IUPAC name of 2-(1H-indol-3-yl)-N,N-dimethylbutanamide?
The IUPAC name of 2-(1H-indol-3-yl)-N,N-dimethylbutanamide (CID 166107005) is 2-(1H-indol-3-yl)-N,N-dimethylbutanamide.
What is the SMILES notation for 2-(1H-indol-3-yl)-N,N-dimethylbutanamide?
The canonical SMILES for 2-(1H-indol-3-yl)-N,N-dimethylbutanamide is CCC(C(=O)N(C)C)c1c[nH]c2ccccc12.
What is the InChIKey of 2-(1H-indol-3-yl)-N,N-dimethylbutanamide?
The InChIKey is MXWBSLKGAJYKMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O/c1-4-10(14(17)16(2)3)12-9-15-13-8-6-5-7-11(12)13/h5-10,15H,4H2,1-3H3.
What are the key properties of 2-(1H-indol-3-yl)-N,N-dimethylbutanamide?
2-(1H-indol-3-yl)-N,N-dimethylbutanamide has a molecular weight of 230.31 g/mol, XLogP of 2.75, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1H-indol-3-yl)-N,N-dimethylbutanamide is sourced from PubChem (CID 166107005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).