3-amino-N,2,2-trimethyl-N-(1-methylindol-3-yl)propanamide

C15H21N3O — CID 115154587

IUPAC3-amino-N,2,2-trimethyl-N-(1-methylindol-3-yl)propanamide
SMILESCN(C(=O)C(C)(C)CN)c1cn(C)c2ccccc12
InChIInChI=1S/C15H21N3O/c1-15(2,10-16)14(19)18(4)13-9-17(3)12-8-6-5-7-11(12)13/h5-9H,10,16H2,1-4H3
InChIKeyCGAMJAIYXQABSQ-UHFFFAOYSA-N
MW259.35 g/mol
LogP2.13
Rot. Bonds3

About 3-amino-N,2,2-trimethyl-N-(1-methylindol-3-yl)propanamide

3-amino-N,2,2-trimethyl-N-(1-methylindol-3-yl)propanamide (PubChem CID 115154587) has the molecular formula C15H21N3O and a molecular weight of 259.35 g/mol. Its IUPAC name is 3-amino-N,2,2-trimethyl-N-(1-methylindol-3-yl)propanamide.

Molecular Properties

Compound Name3-amino-N,2,2-trimethyl-N-(1-methylindol-3-yl)propanamide
PubChem CID115154587
Molecular FormulaC15H21N3O
Molecular Weight259.35 g/mol
Exact Mass259.17
IUPAC Name3-amino-N,2,2-trimethyl-N-(1-methylindol-3-yl)propanamide
SMILESCN(C(=O)C(C)(C)CN)c1cn(C)c2ccccc12
InChIInChI=1S/C15H21N3O/c1-15(2,10-16)14(19)18(4)13-9-17(3)12-8-6-5-7-11(12)13/h5-9H,10,16H2,1-4H3
InChIKeyCGAMJAIYXQABSQ-UHFFFAOYSA-N
XLogP2.13
TPSA51.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.35
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-methyl-1-(1-methylindol-3-yl)urea
CID 115168227
3-amino-1-methyl-1-(1-methylindol-3-yl)urea
CID 115192506
3-amino-2,2-dimethyl-N-[(1-methylindol-3-yl)methyl]propanamide
CID 115154655
1-N,3-dimethyl-1-N-(1-methylindol-3-yl)butane-1,3-diamine
CID 115200498
N-methyl-2-(1-methylindol-3-yl)acetohydrazide
CID 116844810
methyl 2-[methyl-(1-methylindol-3-yl)amino]acetate
CID 115232780
N-[4-(aminomethyl)phenyl]-N,1-dimethylindol-3-amine
CID 117041625
2-amino-N-(1-methylindol-3-yl)-N-pyridin-4-ylacetamide
CID 19802660
4-amino-1-[methyl-(1-methylindol-3-yl)amino]butan-2-ol
CID 117039109
N-(2-iodophenyl)-N-methyl-2-(1-methylindol-3-yl)acetamide
CID 134971385
3-amino-N,2,2-trimethyl-N-(1-methylbenzimidazol-5-yl)propanamide
CID 115154607
2,2-dimethyl-1-(1-methylindol-3-yl)propane-1,3-diamine
CID 116933418

Frequently Asked Questions

What is the IUPAC name of 3-amino-N,2,2-trimethyl-N-(1-methylindol-3-yl)propanamide?
The IUPAC name of 3-amino-N,2,2-trimethyl-N-(1-methylindol-3-yl)propanamide (CID 115154587) is 3-amino-N,2,2-trimethyl-N-(1-methylindol-3-yl)propanamide.
What is the SMILES notation for 3-amino-N,2,2-trimethyl-N-(1-methylindol-3-yl)propanamide?
The canonical SMILES for 3-amino-N,2,2-trimethyl-N-(1-methylindol-3-yl)propanamide is CN(C(=O)C(C)(C)CN)c1cn(C)c2ccccc12.
What is the InChIKey of 3-amino-N,2,2-trimethyl-N-(1-methylindol-3-yl)propanamide?
The InChIKey is CGAMJAIYXQABSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O/c1-15(2,10-16)14(19)18(4)13-9-17(3)12-8-6-5-7-11(12)13/h5-9H,10,16H2,1-4H3.
What are the key properties of 3-amino-N,2,2-trimethyl-N-(1-methylindol-3-yl)propanamide?
3-amino-N,2,2-trimethyl-N-(1-methylindol-3-yl)propanamide has a molecular weight of 259.35 g/mol, XLogP of 2.13, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N,2,2-trimethyl-N-(1-methylindol-3-yl)propanamide is sourced from PubChem (CID 115154587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).