3-(1H-indol-3-yl)-N-(1-methoxypropan-2-yl)propanamide

C15H20N2O2 — CID 18074487

IUPAC3-(1H-indol-3-yl)-N-(1-methoxypropan-2-yl)propanamide
SMILESCOCC(C)NC(=O)CCc1c[nH]c2ccccc12
InChIInChI=1S/C15H20N2O2/c1-11(10-19-2)17-15(18)8-7-12-9-16-14-6-4-3-5-13(12)14/h3-6,9,11,16H,7-8,10H2,1-2H3,(H,17,18)
InChIKeyABNQEBDNMWSJJO-UHFFFAOYSA-N
MW260.34 g/mol
LogP2.25
Rot. Bonds6

About 3-(1H-indol-3-yl)-N-(1-methoxypropan-2-yl)propanamide

3-(1H-indol-3-yl)-N-(1-methoxypropan-2-yl)propanamide (PubChem CID 18074487) has the molecular formula C15H20N2O2 and a molecular weight of 260.34 g/mol. Its IUPAC name is 3-(1H-indol-3-yl)-N-(1-methoxypropan-2-yl)propanamide.

Molecular Properties

Compound Name3-(1H-indol-3-yl)-N-(1-methoxypropan-2-yl)propanamide
PubChem CID18074487
Molecular FormulaC15H20N2O2
Molecular Weight260.34 g/mol
Exact Mass260.15
IUPAC Name3-(1H-indol-3-yl)-N-(1-methoxypropan-2-yl)propanamide
SMILESCOCC(C)NC(=O)CCc1c[nH]c2ccccc12
InChIInChI=1S/C15H20N2O2/c1-11(10-19-2)17-15(18)8-7-12-9-16-14-6-4-3-5-13(12)14/h3-6,9,11,16H,7-8,10H2,1-2H3,(H,17,18)
InChIKeyABNQEBDNMWSJJO-UHFFFAOYSA-N
XLogP2.25
TPSA54.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.34
LogP ≤ 52.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-(1H-indol-3-yl)-N-[(2S)-pent-4-en-2-yl]propanamide
CID 97086843
2-[3-(1H-indol-3-yl)propanoylamino]-4-methoxybutanoic acid
CID 120701902
N-(4-ethylsulfanylbutan-2-yl)-3-(1H-indol-3-yl)propanamide
CID 115662191
3-(1H-indol-3-yl)-N-(1-phenylethyl)propanamide
CID 582677
2-[3-(1H-indol-3-yl)propanoylamino]-N-methylpropanamide
CID 47315730
(2S,3S)-2-[3-(1H-indol-3-yl)propanoylamino]-3-methylpentanoic acid
CID 7094652
(2R)-N-[(2R)-butan-2-yl]-2-[3-(1H-indol-3-yl)propanoylamino]propanamide
CID 52781483
[2-oxo-2-[[(2S)-pentan-2-yl]amino]ethyl] 3-(1H-indol-3-yl)propanoate
CID 40651024
N-[1-(1H-indol-3-yl)propan-2-yl]-3-phenylpropanamide
CID 142880124
N-[(2R)-1-(1H-indol-3-yl)propan-2-yl]-2-methoxyacetamide
CID 53348431
methyl 2-[4-(1H-indol-3-yl)butanoylamino]propanoate
CID 60638102
N-(1-methoxypropan-2-yl)-1H-indole-3-carboxamide
CID 18712226

Frequently Asked Questions

What is the IUPAC name of 3-(1H-indol-3-yl)-N-(1-methoxypropan-2-yl)propanamide?
The IUPAC name of 3-(1H-indol-3-yl)-N-(1-methoxypropan-2-yl)propanamide (CID 18074487) is 3-(1H-indol-3-yl)-N-(1-methoxypropan-2-yl)propanamide.
What is the SMILES notation for 3-(1H-indol-3-yl)-N-(1-methoxypropan-2-yl)propanamide?
The canonical SMILES for 3-(1H-indol-3-yl)-N-(1-methoxypropan-2-yl)propanamide is COCC(C)NC(=O)CCc1c[nH]c2ccccc12.
What is the InChIKey of 3-(1H-indol-3-yl)-N-(1-methoxypropan-2-yl)propanamide?
The InChIKey is ABNQEBDNMWSJJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O2/c1-11(10-19-2)17-15(18)8-7-12-9-16-14-6-4-3-5-13(12)14/h3-6,9,11,16H,7-8,10H2,1-2H3,(H,17,18).
What are the key properties of 3-(1H-indol-3-yl)-N-(1-methoxypropan-2-yl)propanamide?
3-(1H-indol-3-yl)-N-(1-methoxypropan-2-yl)propanamide has a molecular weight of 260.34 g/mol, XLogP of 2.25, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1H-indol-3-yl)-N-(1-methoxypropan-2-yl)propanamide is sourced from PubChem (CID 18074487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).