methyl-[2-[[2-(methylamino)-2-oxoethyl]amino]-2-oxoethyl]-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]azanium

C16H24N3O2+ — CID 8681204

IUPACmethyl-[2-[[2-(methylamino)-2-oxoethyl]amino]-2-oxoethyl]-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]azanium
SMILESCNC(=O)CNC(=O)C[NH+](C)[C@@H]1CCCc2ccccc21
InChIInChI=1S/C16H23N3O2/c1-17-15(20)10-18-16(21)11-19(2)14-9-5-7-12-6-3-4-8-13(12)14/h3-4,6,8,14H,5,7,9-11H2,1-2H3,(H,17,20)(H,18,21)/p+1/t14-/m1/s1
InChIKeyKMSOXBMOJFEPLT-CQSZACIVSA-O
MW290.39 g/mol
LogP-0.56
Rot. Bonds5

About methyl-[2-[[2-(methylamino)-2-oxoethyl]amino]-2-oxoethyl]-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]azanium

methyl-[2-[[2-(methylamino)-2-oxoethyl]amino]-2-oxoethyl]-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]azanium (PubChem CID 8681204) has the molecular formula C16H24N3O2+ and a molecular weight of 290.39 g/mol. Its IUPAC name is methyl-[2-[[2-(methylamino)-2-oxoethyl]amino]-2-oxoethyl]-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]azanium.

Molecular Properties

Compound Namemethyl-[2-[[2-(methylamino)-2-oxoethyl]amino]-2-oxoethyl]-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]azanium
PubChem CID8681204
Molecular FormulaC16H24N3O2+
Molecular Weight290.39 g/mol
Exact Mass290.19
IUPAC Namemethyl-[2-[[2-(methylamino)-2-oxoethyl]amino]-2-oxoethyl]-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]azanium
SMILESCNC(=O)CNC(=O)C[NH+](C)[C@@H]1CCCc2ccccc21
InChIInChI=1S/C16H23N3O2/c1-17-15(20)10-18-16(21)11-19(2)14-9-5-7-12-6-3-4-8-13(12)14/h3-4,6,8,14H,5,7,9-11H2,1-2H3,(H,17,20)(H,18,21)/p+1/t14-/m1/s1
InChIKeyKMSOXBMOJFEPLT-CQSZACIVSA-O
XLogP-0.56
TPSA62.64 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.39
LogP ≤ 5-0.56
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Analyze methyl-[2-[[2-(methylamino)-2-oxoethyl]amino]-2-oxoethyl]-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]azanium with MolForge

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Related Compounds

methyl-[2-[methyl-[2-(methylamino)-2-oxoethyl]amino]-2-oxoethyl]-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]azanium
CID 8680865
methyl-[2-[[(1R,2R)-2-methylcyclohexyl]amino]-2-oxoethyl]-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]azanium
CID 8552327
methyl-[2-(2-methylanilino)-2-oxoethyl]-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]azanium
CID 9260623
[2-(2-bromoanilino)-2-oxoethyl]-methyl-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]azanium
CID 9261107
[2-(tert-butylcarbamoylamino)-2-oxoethyl]-methyl-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]azanium
CID 9260307
[2-[2-(4-ethoxyphenoxy)ethylamino]-2-oxoethyl]-methyl-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]azanium
CID 8681305
methyl-[2-(3-methylanilino)-2-oxoethyl]-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]azanium
CID 9260580
[2-[4-(diethylcarbamoyl)anilino]-2-oxoethyl]-methyl-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]azanium
CID 9260498
[2-[(3-carbamoylthiophen-2-yl)amino]-2-oxoethyl]-methyl-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]azanium
CID 9117109
methyl-[2-oxo-2-(3-pyrrolidin-1-ylsulfonylanilino)ethyl]-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]azanium
CID 9260898
N-ethyl-2-[[2-[methyl-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]acetyl]amino]acetamide
CID 8681103
methyl-[2-[methyl-[(4-methylsulfanylphenyl)methyl]amino]-2-oxoethyl]-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]azanium
CID 8680892

Frequently Asked Questions

What is the IUPAC name of methyl-[2-[[2-(methylamino)-2-oxoethyl]amino]-2-oxoethyl]-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]azanium?
The IUPAC name of methyl-[2-[[2-(methylamino)-2-oxoethyl]amino]-2-oxoethyl]-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]azanium (CID 8681204) is methyl-[2-[[2-(methylamino)-2-oxoethyl]amino]-2-oxoethyl]-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]azanium.
What is the SMILES notation for methyl-[2-[[2-(methylamino)-2-oxoethyl]amino]-2-oxoethyl]-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]azanium?
The canonical SMILES for methyl-[2-[[2-(methylamino)-2-oxoethyl]amino]-2-oxoethyl]-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]azanium is CNC(=O)CNC(=O)C[NH+](C)[C@@H]1CCCc2ccccc21.
What is the InChIKey of methyl-[2-[[2-(methylamino)-2-oxoethyl]amino]-2-oxoethyl]-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]azanium?
The InChIKey is KMSOXBMOJFEPLT-CQSZACIVSA-O. The full InChI is InChI=1S/C16H23N3O2/c1-17-15(20)10-18-16(21)11-19(2)14-9-5-7-12-6-3-4-8-13(12)14/h3-4,6,8,14H,5,7,9-11H2,1-2H3,(H,17,20)(H,18,21)/p+1/t14-/m1/s1.
What are the key properties of methyl-[2-[[2-(methylamino)-2-oxoethyl]amino]-2-oxoethyl]-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]azanium?
methyl-[2-[[2-(methylamino)-2-oxoethyl]amino]-2-oxoethyl]-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]azanium has a molecular weight of 290.39 g/mol, XLogP of -0.56, 5 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methyl-[2-[[2-(methylamino)-2-oxoethyl]amino]-2-oxoethyl]-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]azanium is sourced from PubChem (CID 8681204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).