methyl-(naphthalen-2-ylmethyl)-[2-oxo-2-(propan-2-ylcarbamoylamino)ethyl]azanium

C18H24N3O2+ — CID 9261274

IUPACmethyl-(naphthalen-2-ylmethyl)-[2-oxo-2-(propan-2-ylcarbamoylamino)ethyl]azanium
SMILESCC(C)NC(=O)NC(=O)C[NH+](C)Cc1ccc2ccccc2c1
InChIInChI=1S/C18H23N3O2/c1-13(2)19-18(23)20-17(22)12-21(3)11-14-8-9-15-6-4-5-7-16(15)10-14/h4-10,13H,11-12H2,1-3H3,(H2,19,20,22,23)/p+1
InChIKeyHLICCJQVQHMXKI-UHFFFAOYSA-O
MW314.41 g/mol
LogP1.09
Rot. Bonds5

About methyl-(naphthalen-2-ylmethyl)-[2-oxo-2-(propan-2-ylcarbamoylamino)ethyl]azanium

methyl-(naphthalen-2-ylmethyl)-[2-oxo-2-(propan-2-ylcarbamoylamino)ethyl]azanium (PubChem CID 9261274) has the molecular formula C18H24N3O2+ and a molecular weight of 314.41 g/mol. Its IUPAC name is methyl-(naphthalen-2-ylmethyl)-[2-oxo-2-(propan-2-ylcarbamoylamino)ethyl]azanium.

Molecular Properties

Compound Namemethyl-(naphthalen-2-ylmethyl)-[2-oxo-2-(propan-2-ylcarbamoylamino)ethyl]azanium
PubChem CID9261274
Molecular FormulaC18H24N3O2+
Molecular Weight314.41 g/mol
Exact Mass314.19
IUPAC Namemethyl-(naphthalen-2-ylmethyl)-[2-oxo-2-(propan-2-ylcarbamoylamino)ethyl]azanium
SMILESCC(C)NC(=O)NC(=O)C[NH+](C)Cc1ccc2ccccc2c1
InChIInChI=1S/C18H23N3O2/c1-13(2)19-18(23)20-17(22)12-21(3)11-14-8-9-15-6-4-5-7-16(15)10-14/h4-10,13H,11-12H2,1-3H3,(H2,19,20,22,23)/p+1
InChIKeyHLICCJQVQHMXKI-UHFFFAOYSA-O
XLogP1.09
TPSA62.64 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.41
LogP ≤ 51.09
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

methyl-(naphthalen-2-ylmethyl)-[2-oxo-2-[[(1S)-1-phenylethyl]amino]ethyl]azanium
CID 9261608
[4-(difluoromethoxy)phenyl]methyl-methyl-[2-oxo-2-(propan-2-ylcarbamoylamino)ethyl]azanium
CID 9023444
[2-[[(2S)-butan-2-yl]carbamoylamino]-2-oxoethyl]-[(4-methoxyphenyl)methyl]-methylazanium
CID 8761112
2-naphthalen-2-yl-N-[4-(propan-2-ylcarbamoylamino)phenyl]acetamide
CID 38196427
[2-[[(2S)-butan-2-yl]carbamoylamino]-2-oxoethyl]-[(4-ethylphenyl)methyl]-methylazanium
CID 8907739
methyl-(naphthalen-2-ylmethyl)-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]azanium
CID 9261664
[2-(butylcarbamoylamino)-2-oxoethyl]-[(6-methoxynaphthalen-2-yl)methyl]-methylazanium
CID 8925434
(6-methoxynaphthalen-2-yl)methyl-methyl-[2-oxo-2-(2,2,2-trifluoroethylcarbamoylamino)ethyl]azanium
CID 8925396
2-(3,4-dimethoxyphenyl)ethyl-methyl-[2-oxo-2-(propan-2-ylcarbamoylamino)ethyl]azanium
CID 8583864
[2-[3-(ethylcarbamoyl)anilino]-2-oxoethyl]-methyl-(naphthalen-2-ylmethyl)azanium
CID 8615093
[2-[[(2S)-butan-2-yl]carbamoylamino]-2-oxoethyl]-[(3-fluoro-4-methoxyphenyl)methyl]-methylazanium
CID 9432499
(3,4-dichlorophenyl)methyl-methyl-[2-(2-methylpropylcarbamoylamino)-2-oxoethyl]azanium
CID 9251473

Frequently Asked Questions

What is the IUPAC name of methyl-(naphthalen-2-ylmethyl)-[2-oxo-2-(propan-2-ylcarbamoylamino)ethyl]azanium?
The IUPAC name of methyl-(naphthalen-2-ylmethyl)-[2-oxo-2-(propan-2-ylcarbamoylamino)ethyl]azanium (CID 9261274) is methyl-(naphthalen-2-ylmethyl)-[2-oxo-2-(propan-2-ylcarbamoylamino)ethyl]azanium.
What is the SMILES notation for methyl-(naphthalen-2-ylmethyl)-[2-oxo-2-(propan-2-ylcarbamoylamino)ethyl]azanium?
The canonical SMILES for methyl-(naphthalen-2-ylmethyl)-[2-oxo-2-(propan-2-ylcarbamoylamino)ethyl]azanium is CC(C)NC(=O)NC(=O)C[NH+](C)Cc1ccc2ccccc2c1.
What is the InChIKey of methyl-(naphthalen-2-ylmethyl)-[2-oxo-2-(propan-2-ylcarbamoylamino)ethyl]azanium?
The InChIKey is HLICCJQVQHMXKI-UHFFFAOYSA-O. The full InChI is InChI=1S/C18H23N3O2/c1-13(2)19-18(23)20-17(22)12-21(3)11-14-8-9-15-6-4-5-7-16(15)10-14/h4-10,13H,11-12H2,1-3H3,(H2,19,20,22,23)/p+1.
What are the key properties of methyl-(naphthalen-2-ylmethyl)-[2-oxo-2-(propan-2-ylcarbamoylamino)ethyl]azanium?
methyl-(naphthalen-2-ylmethyl)-[2-oxo-2-(propan-2-ylcarbamoylamino)ethyl]azanium has a molecular weight of 314.41 g/mol, XLogP of 1.09, 5 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methyl-(naphthalen-2-ylmethyl)-[2-oxo-2-(propan-2-ylcarbamoylamino)ethyl]azanium is sourced from PubChem (CID 9261274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).