methyl 5-[ethyl-[2-(1H-indol-3-yl)ethyl]amino]-5-oxopentanoate

C18H24N2O3 — CID 23336475

IUPACmethyl 5-[ethyl-[2-(1H-indol-3-yl)ethyl]amino]-5-oxopentanoate
SMILESCCN(CCc1c[nH]c2ccccc12)C(=O)CCCC(=O)OC
InChIInChI=1S/C18H24N2O3/c1-3-20(17(21)9-6-10-18(22)23-2)12-11-14-13-19-16-8-5-4-7-15(14)16/h4-5,7-8,13,19H,3,6,9-12H2,1-2H3
InChIKeyROIYBKFWNSEUAQ-UHFFFAOYSA-N
MW316.40 g/mol
LogP2.90
Rot. Bonds8

About methyl 5-[ethyl-[2-(1H-indol-3-yl)ethyl]amino]-5-oxopentanoate

methyl 5-[ethyl-[2-(1H-indol-3-yl)ethyl]amino]-5-oxopentanoate (PubChem CID 23336475) has the molecular formula C18H24N2O3 and a molecular weight of 316.40 g/mol. Its IUPAC name is methyl 5-[ethyl-[2-(1H-indol-3-yl)ethyl]amino]-5-oxopentanoate.

Molecular Properties

Compound Namemethyl 5-[ethyl-[2-(1H-indol-3-yl)ethyl]amino]-5-oxopentanoate
PubChem CID23336475
Molecular FormulaC18H24N2O3
Molecular Weight316.40 g/mol
Exact Mass316.18
IUPAC Namemethyl 5-[ethyl-[2-(1H-indol-3-yl)ethyl]amino]-5-oxopentanoate
SMILESCCN(CCc1c[nH]c2ccccc12)C(=O)CCCC(=O)OC
InChIInChI=1S/C18H24N2O3/c1-3-20(17(21)9-6-10-18(22)23-2)12-11-14-13-19-16-8-5-4-7-15(14)16/h4-5,7-8,13,19H,3,6,9-12H2,1-2H3
InChIKeyROIYBKFWNSEUAQ-UHFFFAOYSA-N
XLogP2.90
TPSA62.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.40
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-ethyl-N-[2-(1H-indol-3-yl)ethyl]-2-(methoxyamino)acetamide
CID 145368155
methyl 5-[butyl-[2-[2-(1H-indol-3-yl)ethyl-[(2-methoxyphenyl)methyl]amino]-2-oxoethyl]amino]-5-oxopentanoate
CID 42778564
N-benzyl-N-[2-(1H-indol-3-yl)ethyl]pentanamide
CID 42695889
3-[acetyl-[2-(1H-indol-3-yl)ethyl]amino]-N-benzyl-N-ethylpropanamide
CID 113121765
ethyl 4-(1H-indol-3-yl)butanoate;hydrochloride
CID 67834075
5-[2-(1H-indol-3-yl)ethyl-methylamino]-5-oxopentanoic acid
CID 23336462
N-ethyl-N-(2-hydroxy-2-methylpropyl)-3-(1H-indol-3-yl)propanamide
CID 79380294
N,N-diethyl-3-(1H-indol-3-ylmethylamino)propanamide
CID 60961087
methyl 3-[[2-(1H-indol-3-yl)acetyl]amino]propanoate
CID 2539049
N-butyl-N-[2-[2-(1H-indol-3-yl)ethyl-[(4-methoxyphenyl)methyl]amino]-2-oxoethyl]dodecanamide
CID 42664117
[(1S)-2-(diethylamino)-2-oxo-1-phenylethyl] 4-(1H-indol-3-yl)butanoate
CID 9416154
4-(1H-indol-3-yl)-N-[2-(2-methylanilino)-2-oxoethyl]-N-propylbutanamide
CID 25161859

Frequently Asked Questions

What is the IUPAC name of methyl 5-[ethyl-[2-(1H-indol-3-yl)ethyl]amino]-5-oxopentanoate?
The IUPAC name of methyl 5-[ethyl-[2-(1H-indol-3-yl)ethyl]amino]-5-oxopentanoate (CID 23336475) is methyl 5-[ethyl-[2-(1H-indol-3-yl)ethyl]amino]-5-oxopentanoate.
What is the SMILES notation for methyl 5-[ethyl-[2-(1H-indol-3-yl)ethyl]amino]-5-oxopentanoate?
The canonical SMILES for methyl 5-[ethyl-[2-(1H-indol-3-yl)ethyl]amino]-5-oxopentanoate is CCN(CCc1c[nH]c2ccccc12)C(=O)CCCC(=O)OC.
What is the InChIKey of methyl 5-[ethyl-[2-(1H-indol-3-yl)ethyl]amino]-5-oxopentanoate?
The InChIKey is ROIYBKFWNSEUAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2O3/c1-3-20(17(21)9-6-10-18(22)23-2)12-11-14-13-19-16-8-5-4-7-15(14)16/h4-5,7-8,13,19H,3,6,9-12H2,1-2H3.
What are the key properties of methyl 5-[ethyl-[2-(1H-indol-3-yl)ethyl]amino]-5-oxopentanoate?
methyl 5-[ethyl-[2-(1H-indol-3-yl)ethyl]amino]-5-oxopentanoate has a molecular weight of 316.40 g/mol, XLogP of 2.90, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-[ethyl-[2-(1H-indol-3-yl)ethyl]amino]-5-oxopentanoate is sourced from PubChem (CID 23336475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).