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

C14H19N3O — CID 115153662

IUPAC3-amino-2-methyl-N-[(1-methylindol-3-yl)methyl]propanamide
SMILESCC(CN)C(=O)NCc1cn(C)c2ccccc12
InChIInChI=1S/C14H19N3O/c1-10(7-15)14(18)16-8-11-9-17(2)13-6-4-3-5-12(11)13/h3-6,9-10H,7-8,15H2,1-2H3,(H,16,18)
InChIKeyMVSAGMQJXFOZJV-UHFFFAOYSA-N
MW245.33 g/mol
LogP1.39
Rot. Bonds4

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

3-amino-2-methyl-N-[(1-methylindol-3-yl)methyl]propanamide (PubChem CID 115153662) has the molecular formula C14H19N3O and a molecular weight of 245.33 g/mol. Its IUPAC name is 3-amino-2-methyl-N-[(1-methylindol-3-yl)methyl]propanamide.

Molecular Properties

Compound Name3-amino-2-methyl-N-[(1-methylindol-3-yl)methyl]propanamide
PubChem CID115153662
Molecular FormulaC14H19N3O
Molecular Weight245.33 g/mol
Exact Mass245.15
IUPAC Name3-amino-2-methyl-N-[(1-methylindol-3-yl)methyl]propanamide
SMILESCC(CN)C(=O)NCc1cn(C)c2ccccc12
InChIInChI=1S/C14H19N3O/c1-10(7-15)14(18)16-8-11-9-17(2)13-6-4-3-5-12(11)13/h3-6,9-10H,7-8,15H2,1-2H3,(H,16,18)
InChIKeyMVSAGMQJXFOZJV-UHFFFAOYSA-N
XLogP1.39
TPSA60.05 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.33
LogP ≤ 51.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-amino-2-methyl-N-(1-methylindol-3-yl)propanamide
CID 115153480
N-[(1-methylindol-3-yl)methyl]-2-(propan-2-ylamino)acetamide
CID 115158236
N-(2-aminopropyl)-2-(1-methylindol-3-yl)acetamide
CID 110832860
N-(2-aminoethyl)-2-(1-methylindol-3-yl)acetamide
CID 82289252
3-amino-2,2-dimethyl-N-[(1-methylindol-3-yl)methyl]propanamide
CID 115154655
2-(2-fluorophenyl)-N-[(1-methylindol-3-yl)methyl]acetamide
CID 110782275
2-(1-methylindol-3-yl)-N-propan-2-ylacetamide
CID 13010552
methyl 4-methyl-2-[(1-methylindol-3-yl)methylamino]pentanoate
CID 65067382
1-tert-butyl-3-[(1-methylindol-3-yl)methyl]urea
CID 110775093
1-amino-3-[(1-methylindol-3-yl)methylamino]propan-2-ol
CID 115121377
2-[(1-methylindol-3-yl)methylamino]pentanoic acid
CID 65054985
N'-[(1-methylindol-3-yl)methyl]-2-propan-2-ylpropane-1,3-diamine
CID 115252487

Frequently Asked Questions

What is the IUPAC name of 3-amino-2-methyl-N-[(1-methylindol-3-yl)methyl]propanamide?
The IUPAC name of 3-amino-2-methyl-N-[(1-methylindol-3-yl)methyl]propanamide (CID 115153662) is 3-amino-2-methyl-N-[(1-methylindol-3-yl)methyl]propanamide.
What is the SMILES notation for 3-amino-2-methyl-N-[(1-methylindol-3-yl)methyl]propanamide?
The canonical SMILES for 3-amino-2-methyl-N-[(1-methylindol-3-yl)methyl]propanamide is CC(CN)C(=O)NCc1cn(C)c2ccccc12.
What is the InChIKey of 3-amino-2-methyl-N-[(1-methylindol-3-yl)methyl]propanamide?
The InChIKey is MVSAGMQJXFOZJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O/c1-10(7-15)14(18)16-8-11-9-17(2)13-6-4-3-5-12(11)13/h3-6,9-10H,7-8,15H2,1-2H3,(H,16,18).
What are the key properties of 3-amino-2-methyl-N-[(1-methylindol-3-yl)methyl]propanamide?
3-amino-2-methyl-N-[(1-methylindol-3-yl)methyl]propanamide has a molecular weight of 245.33 g/mol, XLogP of 1.39, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-2-methyl-N-[(1-methylindol-3-yl)methyl]propanamide is sourced from PubChem (CID 115153662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).