3-amino-2,2-dimethyl-N-[(1-methylindol-3-yl)methyl]propanamide

C15H21N3O — CID 115154655

IUPAC3-amino-2,2-dimethyl-N-[(1-methylindol-3-yl)methyl]propanamide
SMILESCn1cc(CNC(=O)C(C)(C)CN)c2ccccc21
InChIInChI=1S/C15H21N3O/c1-15(2,10-16)14(19)17-8-11-9-18(3)13-7-5-4-6-12(11)13/h4-7,9H,8,10,16H2,1-3H3,(H,17,19)
InChIKeyQOMMZRRTJQSZFC-UHFFFAOYSA-N
MW259.35 g/mol
LogP1.78
Rot. Bonds4

About 3-amino-2,2-dimethyl-N-[(1-methylindol-3-yl)methyl]propanamide

3-amino-2,2-dimethyl-N-[(1-methylindol-3-yl)methyl]propanamide (PubChem CID 115154655) has the molecular formula C15H21N3O and a molecular weight of 259.35 g/mol. Its IUPAC name is 3-amino-2,2-dimethyl-N-[(1-methylindol-3-yl)methyl]propanamide.

Molecular Properties

Compound Name3-amino-2,2-dimethyl-N-[(1-methylindol-3-yl)methyl]propanamide
PubChem CID115154655
Molecular FormulaC15H21N3O
Molecular Weight259.35 g/mol
Exact Mass259.17
IUPAC Name3-amino-2,2-dimethyl-N-[(1-methylindol-3-yl)methyl]propanamide
SMILESCn1cc(CNC(=O)C(C)(C)CN)c2ccccc21
InChIInChI=1S/C15H21N3O/c1-15(2,10-16)14(19)17-8-11-9-18(3)13-7-5-4-6-12(11)13/h4-7,9H,8,10,16H2,1-3H3,(H,17,19)
InChIKeyQOMMZRRTJQSZFC-UHFFFAOYSA-N
XLogP1.78
TPSA60.05 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.35
LogP ≤ 51.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 3-amino-2,2-dimethyl-N-[(1-methylindol-3-yl)methyl]propanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-tert-butyl-3-[(1-methylindol-3-yl)methyl]urea
CID 110775093
N-(2-aminoethyl)-2-(1-methylindol-3-yl)acetamide
CID 82289252
3-amino-2-methyl-N-[(1-methylindol-3-yl)methyl]propanamide
CID 115153662
N-(2-aminopropyl)-2-(1-methylindol-3-yl)acetamide
CID 110832860
2-(2-fluorophenyl)-N-[(1-methylindol-3-yl)methyl]acetamide
CID 110782275
N-[(1-methylindol-3-yl)methyl]-2-(propan-2-ylamino)acetamide
CID 115158236
2-(1-methylindol-3-yl)-N-[(4-methylphenyl)methyl]acetamide
CID 4523425
tert-butyl N-[(1-methylindol-3-yl)methylamino]carbamate
CID 107236890
2-(1-methylindol-3-yl)-N-propan-2-ylacetamide
CID 13010552
2-amino-N-[2-(1-methylindol-3-yl)ethyl]acetamide
CID 82495529
N-(2-methoxyethyl)-2-(1-methylindol-3-yl)acetamide
CID 3237946
N-[(4-fluorophenyl)methyl]-2-(1-methylindol-3-yl)acetamide
CID 3632445

Frequently Asked Questions

What is the IUPAC name of 3-amino-2,2-dimethyl-N-[(1-methylindol-3-yl)methyl]propanamide?
The IUPAC name of 3-amino-2,2-dimethyl-N-[(1-methylindol-3-yl)methyl]propanamide (CID 115154655) is 3-amino-2,2-dimethyl-N-[(1-methylindol-3-yl)methyl]propanamide.
What is the SMILES notation for 3-amino-2,2-dimethyl-N-[(1-methylindol-3-yl)methyl]propanamide?
The canonical SMILES for 3-amino-2,2-dimethyl-N-[(1-methylindol-3-yl)methyl]propanamide is Cn1cc(CNC(=O)C(C)(C)CN)c2ccccc21.
What is the InChIKey of 3-amino-2,2-dimethyl-N-[(1-methylindol-3-yl)methyl]propanamide?
The InChIKey is QOMMZRRTJQSZFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O/c1-15(2,10-16)14(19)17-8-11-9-18(3)13-7-5-4-6-12(11)13/h4-7,9H,8,10,16H2,1-3H3,(H,17,19).
What are the key properties of 3-amino-2,2-dimethyl-N-[(1-methylindol-3-yl)methyl]propanamide?
3-amino-2,2-dimethyl-N-[(1-methylindol-3-yl)methyl]propanamide has a molecular weight of 259.35 g/mol, XLogP of 1.78, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-2,2-dimethyl-N-[(1-methylindol-3-yl)methyl]propanamide is sourced from PubChem (CID 115154655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).