N-[2-(6-hydroxy-1H-indol-3-yl)ethyl]-3-methoxypropanamide

C14H18N2O3 — CID 84581868

IUPACN-[2-(6-hydroxy-1H-indol-3-yl)ethyl]-3-methoxypropanamide
SMILESCOCCC(=O)NCCc1c[nH]c2cc(O)ccc12
InChIInChI=1S/C14H18N2O3/c1-19-7-5-14(18)15-6-4-10-9-16-13-8-11(17)2-3-12(10)13/h2-3,8-9,16-17H,4-7H2,1H3,(H,15,18)
InChIKeyGUUSDEFQWFOSAY-UHFFFAOYSA-N
MW262.31 g/mol
LogP1.57
Rot. Bonds6

About N-[2-(6-hydroxy-1H-indol-3-yl)ethyl]-3-methoxypropanamide

N-[2-(6-hydroxy-1H-indol-3-yl)ethyl]-3-methoxypropanamide (PubChem CID 84581868) has the molecular formula C14H18N2O3 and a molecular weight of 262.31 g/mol. Its IUPAC name is N-[2-(6-hydroxy-1H-indol-3-yl)ethyl]-3-methoxypropanamide.

Molecular Properties

Compound NameN-[2-(6-hydroxy-1H-indol-3-yl)ethyl]-3-methoxypropanamide
PubChem CID84581868
Molecular FormulaC14H18N2O3
Molecular Weight262.31 g/mol
Exact Mass262.13
IUPAC NameN-[2-(6-hydroxy-1H-indol-3-yl)ethyl]-3-methoxypropanamide
SMILESCOCCC(=O)NCCc1c[nH]c2cc(O)ccc12
InChIInChI=1S/C14H18N2O3/c1-19-7-5-14(18)15-6-4-10-9-16-13-8-11(17)2-3-12(10)13/h2-3,8-9,16-17H,4-7H2,1H3,(H,15,18)
InChIKeyGUUSDEFQWFOSAY-UHFFFAOYSA-N
XLogP1.57
TPSA74.35 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.31
LogP ≤ 51.57
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(5-chloro-1H-indol-3-yl)ethyl]-3-methoxypropanamide
CID 124607872
N-[2-(1H-indol-3-yl)ethyl]-2-(2-methoxyethylamino)acetamide
CID 78912609
3-[acetyl(2-methoxyethyl)amino]-N-[2-(1H-indol-3-yl)ethyl]propanamide
CID 113116924
N-[2-(6-methoxy-1H-indol-3-yl)ethyl]-3-(5-methylfuran-2-yl)propanamide
CID 4893594
3-(1H-indol-3-yl)-N-[2-(1H-indol-3-yl)ethyl]propanamide
CID 10664257
N-[2-(6-chloro-1H-indol-3-yl)ethyl]-3-(3,4-dimethoxyphenyl)propanamide
CID 113083842
(4E,7E,10E,13E,16E,19E)-N-[2-(5-hydroxy-1H-indol-3-yl)ethyl]docosa-4,7,10,13,16,19-hexaenamide
CID 171042317
2-methoxy-N-[2-(5-methyl-1H-indol-3-yl)ethyl]acetamide
CID 17271899
(2S)-2-amino-5-[2-(5-hydroxy-1H-indol-3-yl)ethylamino]-5-oxopentanoic acid
CID 15234236
N-[2-(3,4-dihydroxyphenyl)ethyl]-3-methoxypropanamide
CID 90161790
3-[2-(dimethoxyamino)ethyl]-1H-indol-6-ol
CID 174323504
(9Z,12Z)-N-[2-(5-hydroxy-1H-indol-3-yl)ethyl]octadeca-9,12-dienamide
CID 24749267

Frequently Asked Questions

What is the IUPAC name of N-[2-(6-hydroxy-1H-indol-3-yl)ethyl]-3-methoxypropanamide?
The IUPAC name of N-[2-(6-hydroxy-1H-indol-3-yl)ethyl]-3-methoxypropanamide (CID 84581868) is N-[2-(6-hydroxy-1H-indol-3-yl)ethyl]-3-methoxypropanamide.
What is the SMILES notation for N-[2-(6-hydroxy-1H-indol-3-yl)ethyl]-3-methoxypropanamide?
The canonical SMILES for N-[2-(6-hydroxy-1H-indol-3-yl)ethyl]-3-methoxypropanamide is COCCC(=O)NCCc1c[nH]c2cc(O)ccc12.
What is the InChIKey of N-[2-(6-hydroxy-1H-indol-3-yl)ethyl]-3-methoxypropanamide?
The InChIKey is GUUSDEFQWFOSAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O3/c1-19-7-5-14(18)15-6-4-10-9-16-13-8-11(17)2-3-12(10)13/h2-3,8-9,16-17H,4-7H2,1H3,(H,15,18).
What are the key properties of N-[2-(6-hydroxy-1H-indol-3-yl)ethyl]-3-methoxypropanamide?
N-[2-(6-hydroxy-1H-indol-3-yl)ethyl]-3-methoxypropanamide has a molecular weight of 262.31 g/mol, XLogP of 1.57, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(6-hydroxy-1H-indol-3-yl)ethyl]-3-methoxypropanamide is sourced from PubChem (CID 84581868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).