3-amino-3-(1H-indol-3-yl)-N,2-dimethylpropanamide

C13H17N3O — CID 59878227

IUPAC3-amino-3-(1H-indol-3-yl)-N,2-dimethylpropanamide
SMILESCNC(=O)C(C)C(N)c1c[nH]c2ccccc12
InChIInChI=1S/C13H17N3O/c1-8(13(17)15-2)12(14)10-7-16-11-6-4-3-5-9(10)11/h3-8,12,16H,14H2,1-2H3,(H,15,17)
InChIKeyNZCPDXPIFCUNGA-UHFFFAOYSA-N
MW231.30 g/mol
LogP1.55
Rot. Bonds3

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

3-amino-3-(1H-indol-3-yl)-N,2-dimethylpropanamide (PubChem CID 59878227) has the molecular formula C13H17N3O and a molecular weight of 231.30 g/mol. Its IUPAC name is 3-amino-3-(1H-indol-3-yl)-N,2-dimethylpropanamide.

Molecular Properties

Compound Name3-amino-3-(1H-indol-3-yl)-N,2-dimethylpropanamide
PubChem CID59878227
Molecular FormulaC13H17N3O
Molecular Weight231.30 g/mol
Exact Mass231.14
IUPAC Name3-amino-3-(1H-indol-3-yl)-N,2-dimethylpropanamide
SMILESCNC(=O)C(C)C(N)c1c[nH]c2ccccc12
InChIInChI=1S/C13H17N3O/c1-8(13(17)15-2)12(14)10-7-16-11-6-4-3-5-9(10)11/h3-8,12,16H,14H2,1-2H3,(H,15,17)
InChIKeyNZCPDXPIFCUNGA-UHFFFAOYSA-N
XLogP1.55
TPSA70.91 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.30
LogP ≤ 51.55
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

2-hydroxy-2-(1H-indol-3-yl)-N-methylacetamide
CID 83532275
2-[amino(1H-indol-3-yl)methyl]-3-methylbutanenitrile
CID 116946345
[(1R)-1-(1H-indol-3-yl)-2-methoxy-2-oxoethyl]azanium
CID 2374175
(1R)-1-(1H-indol-3-yl)-2-methylbutan-1-amine
CID 171197987
2-(1H-indol-3-yl)-3-methylbutanedioic acid
CID 57149405
2-(1H-indol-3-yl)-2-(methylamino)acetic acid
CID 82469928
2-(1H-indol-3-yl)-N',N'-dimethylpropanehydrazide
CID 116848099
2-amino-2-(1H-indol-3-yl)acetyl chloride
CID 88673710
methyl 2-(1H-indol-3-yl)-2-methoxyacetate
CID 13133991
3-propan-2-yl-1H-indole
CID 12534824
N-[1-(1H-indol-3-yl)-2-oxopropyl]-2-methylpropanamide
CID 144559004
(3R)-3-(1H-indol-3-yl)-2-oxobutanoic acid
CID 118796912

Frequently Asked Questions

What is the IUPAC name of 3-amino-3-(1H-indol-3-yl)-N,2-dimethylpropanamide?
The IUPAC name of 3-amino-3-(1H-indol-3-yl)-N,2-dimethylpropanamide (CID 59878227) is 3-amino-3-(1H-indol-3-yl)-N,2-dimethylpropanamide.
What is the SMILES notation for 3-amino-3-(1H-indol-3-yl)-N,2-dimethylpropanamide?
The canonical SMILES for 3-amino-3-(1H-indol-3-yl)-N,2-dimethylpropanamide is CNC(=O)C(C)C(N)c1c[nH]c2ccccc12.
What is the InChIKey of 3-amino-3-(1H-indol-3-yl)-N,2-dimethylpropanamide?
The InChIKey is NZCPDXPIFCUNGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O/c1-8(13(17)15-2)12(14)10-7-16-11-6-4-3-5-9(10)11/h3-8,12,16H,14H2,1-2H3,(H,15,17).
What are the key properties of 3-amino-3-(1H-indol-3-yl)-N,2-dimethylpropanamide?
3-amino-3-(1H-indol-3-yl)-N,2-dimethylpropanamide has a molecular weight of 231.30 g/mol, XLogP of 1.55, 3 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-3-(1H-indol-3-yl)-N,2-dimethylpropanamide is sourced from PubChem (CID 59878227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).