3-(5-methoxyindol-1-yl)propanamide

C12H14N2O2 — CID 116619447

IUPAC3-(5-methoxyindol-1-yl)propanamide
SMILESCOc1ccc2c(ccn2CCC(N)=O)c1
InChIInChI=1S/C12H14N2O2/c1-16-10-2-3-11-9(8-10)4-6-14(11)7-5-12(13)15/h2-4,6,8H,5,7H2,1H3,(H2,13,15)
InChIKeyKTARYYAFBMWMRL-UHFFFAOYSA-N
MW218.26 g/mol
LogP1.53
Rot. Bonds4

About 3-(5-methoxyindol-1-yl)propanamide

3-(5-methoxyindol-1-yl)propanamide (PubChem CID 116619447) has the molecular formula C12H14N2O2 and a molecular weight of 218.26 g/mol. Its IUPAC name is 3-(5-methoxyindol-1-yl)propanamide.

Molecular Properties

Compound Name3-(5-methoxyindol-1-yl)propanamide
PubChem CID116619447
Molecular FormulaC12H14N2O2
Molecular Weight218.26 g/mol
Exact Mass218.11
IUPAC Name3-(5-methoxyindol-1-yl)propanamide
SMILESCOc1ccc2c(ccn2CCC(N)=O)c1
InChIInChI=1S/C12H14N2O2/c1-16-10-2-3-11-9(8-10)4-6-14(11)7-5-12(13)15/h2-4,6,8H,5,7H2,1H3,(H2,13,15)
InChIKeyKTARYYAFBMWMRL-UHFFFAOYSA-N
XLogP1.53
TPSA57.25 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.26
LogP ≤ 51.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

6-(5-methoxyindol-1-yl)hexan-1-ol
CID 107707082
N-cyclopropyl-3-(5-methoxyindol-1-yl)propanamide
CID 116619419
1-(5-iodopentyl)-5-methoxyindole
CID 141021512
(2R,3S)-2-[3-(5-methoxyindol-1-yl)propanoylamino]-3-methylpentanoic acid
CID 124647642
5-methoxy-1-(2-methylsulfanylethyl)indole
CID 116619344
ethyl 4-(5-methoxyindol-1-yl)-3-oxobutanoate
CID 63899069
2-hydroxy-3-(5-methoxyindol-1-yl)propanal
CID 145175310
5-methoxy-1-[3-(2-methoxyethoxy)propyl]indole
CID 103413319
1-(3-ethylsulfonylpropyl)-5-methoxyindole
CID 116619453
4-(5-methoxyindol-1-yl)but-2-enoic acid
CID 76940468
4-(5-methoxyindol-1-yl)-2-methylbut-2-enoic acid
CID 77074701
3-[5-[(2-methylpropylamino)methyl]indol-1-yl]propanamide
CID 102916282

Frequently Asked Questions

What is the IUPAC name of 3-(5-methoxyindol-1-yl)propanamide?
The IUPAC name of 3-(5-methoxyindol-1-yl)propanamide (CID 116619447) is 3-(5-methoxyindol-1-yl)propanamide.
What is the SMILES notation for 3-(5-methoxyindol-1-yl)propanamide?
The canonical SMILES for 3-(5-methoxyindol-1-yl)propanamide is COc1ccc2c(ccn2CCC(N)=O)c1.
What is the InChIKey of 3-(5-methoxyindol-1-yl)propanamide?
The InChIKey is KTARYYAFBMWMRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2O2/c1-16-10-2-3-11-9(8-10)4-6-14(11)7-5-12(13)15/h2-4,6,8H,5,7H2,1H3,(H2,13,15).
What are the key properties of 3-(5-methoxyindol-1-yl)propanamide?
3-(5-methoxyindol-1-yl)propanamide has a molecular weight of 218.26 g/mol, XLogP of 1.53, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-methoxyindol-1-yl)propanamide is sourced from PubChem (CID 116619447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).