2-(2-methoxyethylamino)-N-[1-[2-(methylamino)-2-oxoethyl]indol-6-yl]acetamide

C16H22N4O3 — CID 119764204

IUPAC2-(2-methoxyethylamino)-N-[1-[2-(methylamino)-2-oxoethyl]indol-6-yl]acetamide
SMILESCNC(=O)Cn1ccc2ccc(NC(=O)CNCCOC)cc21
InChIInChI=1S/C16H22N4O3/c1-17-16(22)11-20-7-5-12-3-4-13(9-14(12)20)19-15(21)10-18-6-8-23-2/h3-5,7,9,18H,6,8,10-11H2,1-2H3,(H,17,22)(H,19,21)
InChIKeyXHOZZEFGQSGJIQ-UHFFFAOYSA-N
MW318.38 g/mol
LogP0.56
Rot. Bonds8

About 2-(2-methoxyethylamino)-N-[1-[2-(methylamino)-2-oxoethyl]indol-6-yl]acetamide

2-(2-methoxyethylamino)-N-[1-[2-(methylamino)-2-oxoethyl]indol-6-yl]acetamide (PubChem CID 119764204) has the molecular formula C16H22N4O3 and a molecular weight of 318.38 g/mol. Its IUPAC name is 2-(2-methoxyethylamino)-N-[1-[2-(methylamino)-2-oxoethyl]indol-6-yl]acetamide.

Molecular Properties

Compound Name2-(2-methoxyethylamino)-N-[1-[2-(methylamino)-2-oxoethyl]indol-6-yl]acetamide
PubChem CID119764204
Molecular FormulaC16H22N4O3
Molecular Weight318.38 g/mol
Exact Mass318.17
IUPAC Name2-(2-methoxyethylamino)-N-[1-[2-(methylamino)-2-oxoethyl]indol-6-yl]acetamide
SMILESCNC(=O)Cn1ccc2ccc(NC(=O)CNCCOC)cc21
InChIInChI=1S/C16H22N4O3/c1-17-16(22)11-20-7-5-12-3-4-13(9-14(12)20)19-15(21)10-18-6-8-23-2/h3-5,7,9,18H,6,8,10-11H2,1-2H3,(H,17,22)(H,19,21)
InChIKeyXHOZZEFGQSGJIQ-UHFFFAOYSA-N
XLogP0.56
TPSA84.39 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.38
LogP ≤ 50.56
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-[[2-[6-(3-methoxypropanoylamino)indol-1-yl]acetyl]amino]acetic acid
CID 147717575
N-[1-[2-(methylamino)-2-oxoethyl]indol-6-yl]cyclopropanecarboxamide
CID 155948618
2-(2-methoxyethylamino)-N-(4-methoxyphenyl)acetamide
CID 28565585
2-amino-3-methyl-N-[1-[2-(methylamino)-2-oxoethyl]indol-6-yl]pentanamide
CID 119764196
(2S)-2-amino-4-methyl-N-[1-[2-(methylamino)-2-oxoethyl]indol-6-yl]pentanamide
CID 119764210
methyl N-[2-[[1-(2-methoxyethyl)indol-5-yl]amino]-2-oxoethyl]carbamate
CID 71934793
2-[6-(hydroxymethyl)indol-1-yl]-N-(2-methoxyethyl)acetamide
CID 102913025
1-amino-N-[1-[2-(methylamino)-2-oxoethyl]indol-6-yl]cyclohexane-1-carboxamide;hydrochloride
CID 119312294
N-(3-acetamidophenyl)-2-(2-methoxyethylamino)acetamide
CID 54819836
3-amino-N-[1-[2-(methylamino)-2-oxoethyl]indol-6-yl]cyclopentane-1-carboxamide;hydrochloride
CID 119764171
(1R,2S,4S)-N-[1-[2-(methylamino)-2-oxoethyl]indol-6-yl]bicyclo[2.2.1]hept-5-ene-2-carboxamide
CID 98208111
(2S)-2-amino-N-[1-[2-(methylamino)-2-oxoethyl]indol-6-yl]-4-methylsulfanylbutanamide
CID 119312283

Frequently Asked Questions

What is the IUPAC name of 2-(2-methoxyethylamino)-N-[1-[2-(methylamino)-2-oxoethyl]indol-6-yl]acetamide?
The IUPAC name of 2-(2-methoxyethylamino)-N-[1-[2-(methylamino)-2-oxoethyl]indol-6-yl]acetamide (CID 119764204) is 2-(2-methoxyethylamino)-N-[1-[2-(methylamino)-2-oxoethyl]indol-6-yl]acetamide.
What is the SMILES notation for 2-(2-methoxyethylamino)-N-[1-[2-(methylamino)-2-oxoethyl]indol-6-yl]acetamide?
The canonical SMILES for 2-(2-methoxyethylamino)-N-[1-[2-(methylamino)-2-oxoethyl]indol-6-yl]acetamide is CNC(=O)Cn1ccc2ccc(NC(=O)CNCCOC)cc21.
What is the InChIKey of 2-(2-methoxyethylamino)-N-[1-[2-(methylamino)-2-oxoethyl]indol-6-yl]acetamide?
The InChIKey is XHOZZEFGQSGJIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N4O3/c1-17-16(22)11-20-7-5-12-3-4-13(9-14(12)20)19-15(21)10-18-6-8-23-2/h3-5,7,9,18H,6,8,10-11H2,1-2H3,(H,17,22)(H,19,21).
What are the key properties of 2-(2-methoxyethylamino)-N-[1-[2-(methylamino)-2-oxoethyl]indol-6-yl]acetamide?
2-(2-methoxyethylamino)-N-[1-[2-(methylamino)-2-oxoethyl]indol-6-yl]acetamide has a molecular weight of 318.38 g/mol, XLogP of 0.56, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methoxyethylamino)-N-[1-[2-(methylamino)-2-oxoethyl]indol-6-yl]acetamide is sourced from PubChem (CID 119764204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).