[2-(1-adamantylcarbamoylamino)-2-oxoethyl]-[2-(dimethylamino)-2-oxoethyl]-methylazanium

C18H31N4O3+ — CID 8712352

IUPAC[2-(1-adamantylcarbamoylamino)-2-oxoethyl]-[2-(dimethylamino)-2-oxoethyl]-methylazanium
SMILESCN(C)C(=O)C[NH+](C)CC(=O)NC(=O)NC12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C18H30N4O3/c1-21(2)16(24)11-22(3)10-15(23)19-17(25)20-18-7-12-4-13(8-18)6-14(5-12)9-18/h12-14H,4-11H2,1-3H3,(H2,19,20,23,25)/p+1
InChIKeyOVDMSFNRICCLPF-UHFFFAOYSA-O
MW351.47 g/mol
LogP-0.62
Rot. Bonds5

About [2-(1-adamantylcarbamoylamino)-2-oxoethyl]-[2-(dimethylamino)-2-oxoethyl]-methylazanium

[2-(1-adamantylcarbamoylamino)-2-oxoethyl]-[2-(dimethylamino)-2-oxoethyl]-methylazanium (PubChem CID 8712352) has the molecular formula C18H31N4O3+ and a molecular weight of 351.47 g/mol. Its IUPAC name is [2-(1-adamantylcarbamoylamino)-2-oxoethyl]-[2-(dimethylamino)-2-oxoethyl]-methylazanium.

Molecular Properties

Compound Name[2-(1-adamantylcarbamoylamino)-2-oxoethyl]-[2-(dimethylamino)-2-oxoethyl]-methylazanium
PubChem CID8712352
Molecular FormulaC18H31N4O3+
Molecular Weight351.47 g/mol
Exact Mass351.24
IUPAC Name[2-(1-adamantylcarbamoylamino)-2-oxoethyl]-[2-(dimethylamino)-2-oxoethyl]-methylazanium
SMILESCN(C)C(=O)C[NH+](C)CC(=O)NC(=O)NC12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C18H30N4O3/c1-21(2)16(24)11-22(3)10-15(23)19-17(25)20-18-7-12-4-13(8-18)6-14(5-12)9-18/h12-14H,4-11H2,1-3H3,(H2,19,20,23,25)/p+1
InChIKeyOVDMSFNRICCLPF-UHFFFAOYSA-O
XLogP-0.62
TPSA82.95 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.47
LogP ≤ 5-0.62
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

[2-(1-adamantylcarbamoylamino)-2-oxoethyl]-[(4,5-dimethoxy-2-methylphenyl)methyl]-methylazanium
CID 8551565
N-(1-adamantylcarbamoyl)-2-[[2-(tert-butylamino)-2-oxoethyl]-methylamino]acetamide
CID 8767271
N-(1-adamantylcarbamoyl)-2-[[2-(tert-butylamino)-2-oxoethyl]-ethylamino]acetamide
CID 8795359
1-(1-adamantyl)-3-[2-(dimethylamino)ethyl]urea
CID 3726783
N-(1-adamantylcarbamoyl)-2-[(4-ethoxyphenyl)methyl-methylamino]acetamide
CID 8798899
[(2S)-1-(1-adamantylcarbamoylamino)-1-oxopropan-2-yl]-methyl-[2-oxo-2-(propylamino)ethyl]azanium
CID 9348239
N-(1-adamantyl)-2-(dimethylaminooxy)acetamide
CID 161464424
N-(1-adamantylcarbamoyl)-2-cyclopentylsulfanylacetamide
CID 4821581
3-(1-adamantylcarbamoylamino)-N,N-dipropylpropanamide
CID 30282519
[2-(1-adamantylcarbamoylamino)-2-oxoethyl] 3-(dimethylamino)benzoate
CID 7260860
[2-(1-adamantylcarbamoylamino)-2-oxoethyl] 2-phenylacetate
CID 7874624
N-(1-adamantylcarbamoyl)-2-(2-methoxyanilino)acetamide
CID 9345285

Frequently Asked Questions

What is the IUPAC name of [2-(1-adamantylcarbamoylamino)-2-oxoethyl]-[2-(dimethylamino)-2-oxoethyl]-methylazanium?
The IUPAC name of [2-(1-adamantylcarbamoylamino)-2-oxoethyl]-[2-(dimethylamino)-2-oxoethyl]-methylazanium (CID 8712352) is [2-(1-adamantylcarbamoylamino)-2-oxoethyl]-[2-(dimethylamino)-2-oxoethyl]-methylazanium.
What is the SMILES notation for [2-(1-adamantylcarbamoylamino)-2-oxoethyl]-[2-(dimethylamino)-2-oxoethyl]-methylazanium?
The canonical SMILES for [2-(1-adamantylcarbamoylamino)-2-oxoethyl]-[2-(dimethylamino)-2-oxoethyl]-methylazanium is CN(C)C(=O)C[NH+](C)CC(=O)NC(=O)NC12CC3CC(CC(C3)C1)C2.
What is the InChIKey of [2-(1-adamantylcarbamoylamino)-2-oxoethyl]-[2-(dimethylamino)-2-oxoethyl]-methylazanium?
The InChIKey is OVDMSFNRICCLPF-UHFFFAOYSA-O. The full InChI is InChI=1S/C18H30N4O3/c1-21(2)16(24)11-22(3)10-15(23)19-17(25)20-18-7-12-4-13(8-18)6-14(5-12)9-18/h12-14H,4-11H2,1-3H3,(H2,19,20,23,25)/p+1.
What are the key properties of [2-(1-adamantylcarbamoylamino)-2-oxoethyl]-[2-(dimethylamino)-2-oxoethyl]-methylazanium?
[2-(1-adamantylcarbamoylamino)-2-oxoethyl]-[2-(dimethylamino)-2-oxoethyl]-methylazanium has a molecular weight of 351.47 g/mol, XLogP of -0.62, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(1-adamantylcarbamoylamino)-2-oxoethyl]-[2-(dimethylamino)-2-oxoethyl]-methylazanium is sourced from PubChem (CID 8712352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).