N-[(1-methylindol-3-yl)methyl]-2-(propan-2-ylamino)acetamide

C15H21N3O — CID 115158236

IUPACN-[(1-methylindol-3-yl)methyl]-2-(propan-2-ylamino)acetamide
SMILESCC(C)NCC(=O)NCc1cn(C)c2ccccc12
InChIInChI=1S/C15H21N3O/c1-11(2)16-9-15(19)17-8-12-10-18(3)14-7-5-4-6-13(12)14/h4-7,10-11,16H,8-9H2,1-3H3,(H,17,19)
InChIKeyUJBDOSHCYBURIF-UHFFFAOYSA-N
MW259.35 g/mol
LogP1.79
Rot. Bonds5

About N-[(1-methylindol-3-yl)methyl]-2-(propan-2-ylamino)acetamide

N-[(1-methylindol-3-yl)methyl]-2-(propan-2-ylamino)acetamide (PubChem CID 115158236) has the molecular formula C15H21N3O and a molecular weight of 259.35 g/mol. Its IUPAC name is N-[(1-methylindol-3-yl)methyl]-2-(propan-2-ylamino)acetamide.

Molecular Properties

Compound NameN-[(1-methylindol-3-yl)methyl]-2-(propan-2-ylamino)acetamide
PubChem CID115158236
Molecular FormulaC15H21N3O
Molecular Weight259.35 g/mol
Exact Mass259.17
IUPAC NameN-[(1-methylindol-3-yl)methyl]-2-(propan-2-ylamino)acetamide
SMILESCC(C)NCC(=O)NCc1cn(C)c2ccccc12
InChIInChI=1S/C15H21N3O/c1-11(2)16-9-15(19)17-8-12-10-18(3)14-7-5-4-6-13(12)14/h4-7,10-11,16H,8-9H2,1-3H3,(H,17,19)
InChIKeyUJBDOSHCYBURIF-UHFFFAOYSA-N
XLogP1.79
TPSA46.06 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.35
LogP ≤ 51.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(1-methylindol-3-yl)-N-propan-2-ylacetamide
CID 13010552
N-(2-aminopropyl)-2-(1-methylindol-3-yl)acetamide
CID 110832860
3-amino-2-methyl-N-[(1-methylindol-3-yl)methyl]propanamide
CID 115153662
2-(2-fluorophenyl)-N-[(1-methylindol-3-yl)methyl]acetamide
CID 110782275
3-(1-methylindol-3-yl)-N-propan-2-ylpropanamide
CID 110847846
1-tert-butyl-3-[(1-methylindol-3-yl)methyl]urea
CID 110775093
N-(2-methoxyethyl)-2-[(1-methylindol-3-yl)methylamino]propanamide
CID 107236148
N-(2-aminoethyl)-2-(1-methylindol-3-yl)acetamide
CID 82289252
2-(1-methylindol-3-yl)-N-[(4-methylphenyl)methyl]acetamide
CID 4523425
3-amino-2,2-dimethyl-N-[(1-methylindol-3-yl)methyl]propanamide
CID 115154655
2-acetamido-N-[2-(1-methylindol-3-yl)ethyl]acetamide
CID 11196581
N-[(1-methylindol-3-yl)methyl]-2-(2-methylphenoxy)acetamide
CID 110782279

Frequently Asked Questions

What is the IUPAC name of N-[(1-methylindol-3-yl)methyl]-2-(propan-2-ylamino)acetamide?
The IUPAC name of N-[(1-methylindol-3-yl)methyl]-2-(propan-2-ylamino)acetamide (CID 115158236) is N-[(1-methylindol-3-yl)methyl]-2-(propan-2-ylamino)acetamide.
What is the SMILES notation for N-[(1-methylindol-3-yl)methyl]-2-(propan-2-ylamino)acetamide?
The canonical SMILES for N-[(1-methylindol-3-yl)methyl]-2-(propan-2-ylamino)acetamide is CC(C)NCC(=O)NCc1cn(C)c2ccccc12.
What is the InChIKey of N-[(1-methylindol-3-yl)methyl]-2-(propan-2-ylamino)acetamide?
The InChIKey is UJBDOSHCYBURIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O/c1-11(2)16-9-15(19)17-8-12-10-18(3)14-7-5-4-6-13(12)14/h4-7,10-11,16H,8-9H2,1-3H3,(H,17,19).
What are the key properties of N-[(1-methylindol-3-yl)methyl]-2-(propan-2-ylamino)acetamide?
N-[(1-methylindol-3-yl)methyl]-2-(propan-2-ylamino)acetamide has a molecular weight of 259.35 g/mol, XLogP of 1.79, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-methylindol-3-yl)methyl]-2-(propan-2-ylamino)acetamide is sourced from PubChem (CID 115158236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).