[2-[[2-(tert-butylamino)-2-oxoethyl]-methylamino]-2-oxoethyl] adamantane-1-carboxylate

C20H32N2O4 — CID 9017841

IUPAC[2-[[2-(tert-butylamino)-2-oxoethyl]-methylamino]-2-oxoethyl] adamantane-1-carboxylate
SMILESCN(CC(=O)NC(C)(C)C)C(=O)COC(=O)C12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C20H32N2O4/c1-19(2,3)21-16(23)11-22(4)17(24)12-26-18(25)20-8-13-5-14(9-20)7-15(6-13)10-20/h13-15H,5-12H2,1-4H3,(H,21,23)
InChIKeyQSRMZWWARJPRCC-UHFFFAOYSA-N
MW364.49 g/mol
LogP2.12
Rot. Bonds5

About [2-[[2-(tert-butylamino)-2-oxoethyl]-methylamino]-2-oxoethyl] adamantane-1-carboxylate

[2-[[2-(tert-butylamino)-2-oxoethyl]-methylamino]-2-oxoethyl] adamantane-1-carboxylate (PubChem CID 9017841) has the molecular formula C20H32N2O4 and a molecular weight of 364.49 g/mol. Its IUPAC name is [2-[[2-(tert-butylamino)-2-oxoethyl]-methylamino]-2-oxoethyl] adamantane-1-carboxylate.

Molecular Properties

Compound Name[2-[[2-(tert-butylamino)-2-oxoethyl]-methylamino]-2-oxoethyl] adamantane-1-carboxylate
PubChem CID9017841
Molecular FormulaC20H32N2O4
Molecular Weight364.49 g/mol
Exact Mass364.24
IUPAC Name[2-[[2-(tert-butylamino)-2-oxoethyl]-methylamino]-2-oxoethyl] adamantane-1-carboxylate
SMILESCN(CC(=O)NC(C)(C)C)C(=O)COC(=O)C12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C20H32N2O4/c1-19(2,3)21-16(23)11-22(4)17(24)12-26-18(25)20-8-13-5-14(9-20)7-15(6-13)10-20/h13-15H,5-12H2,1-4H3,(H,21,23)
InChIKeyQSRMZWWARJPRCC-UHFFFAOYSA-N
XLogP2.12
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.49
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[2-[methyl-[(4-methylphenyl)methyl]amino]-2-oxoethyl] adamantane-1-carboxylate
CID 7867134
[2-[[2-(tert-butylamino)-2-oxoethyl]-methylamino]-2-oxoethyl] 1-(4-chlorophenyl)cyclopentane-1-carboxylate
CID 9290804
[2-[[4-(dimethylamino)phenyl]methyl-methylamino]-2-oxoethyl] adamantane-1-carboxylate
CID 9017817
2-[2-[[2-(tert-butylamino)-2-oxoethyl]-methylamino]-2-oxoethoxy]acetic acid
CID 61329426
N-[2-(tert-butylamino)-2-oxoethyl]-2-(cyclopropylmethylamino)-N-methylacetamide;hydrochloride
CID 119691966
[2-(carbamoylamino)-2-oxoethyl] adamantane-1-carboxylate
CID 4534845
[2-(methylcarbamoylamino)-2-oxoethyl] adamantane-1-carboxylate
CID 4310551
N-[2-(tert-butylamino)-2-oxoethyl]-N-methyl-3-oxobutanamide
CID 60951663
[2-[[2-(tert-butylamino)-2-oxoethyl]-methylamino]-2-oxoethyl] 2-(4-methylpentanoylamino)acetate
CID 56519548
[2-[[2-(tert-butylamino)-2-oxoethyl]-methylamino]-2-oxoethyl] 4-(dimethylamino)benzoate
CID 9228937
[2-[[2-(tert-butylamino)-2-oxoethyl]-methylamino]-2-oxoethyl] 1-(2,5-dimethylphenyl)sulfonylcyclopentane-1-carboxylate
CID 55473752
[2-[[2-(tert-butylamino)-2-oxoethyl]-methylamino]-2-oxoethyl] naphthalene-2-carboxylate
CID 9018400

Frequently Asked Questions

What is the IUPAC name of [2-[[2-(tert-butylamino)-2-oxoethyl]-methylamino]-2-oxoethyl] adamantane-1-carboxylate?
The IUPAC name of [2-[[2-(tert-butylamino)-2-oxoethyl]-methylamino]-2-oxoethyl] adamantane-1-carboxylate (CID 9017841) is [2-[[2-(tert-butylamino)-2-oxoethyl]-methylamino]-2-oxoethyl] adamantane-1-carboxylate.
What is the SMILES notation for [2-[[2-(tert-butylamino)-2-oxoethyl]-methylamino]-2-oxoethyl] adamantane-1-carboxylate?
The canonical SMILES for [2-[[2-(tert-butylamino)-2-oxoethyl]-methylamino]-2-oxoethyl] adamantane-1-carboxylate is CN(CC(=O)NC(C)(C)C)C(=O)COC(=O)C12CC3CC(CC(C3)C1)C2.
What is the InChIKey of [2-[[2-(tert-butylamino)-2-oxoethyl]-methylamino]-2-oxoethyl] adamantane-1-carboxylate?
The InChIKey is QSRMZWWARJPRCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H32N2O4/c1-19(2,3)21-16(23)11-22(4)17(24)12-26-18(25)20-8-13-5-14(9-20)7-15(6-13)10-20/h13-15H,5-12H2,1-4H3,(H,21,23).
What are the key properties of [2-[[2-(tert-butylamino)-2-oxoethyl]-methylamino]-2-oxoethyl] adamantane-1-carboxylate?
[2-[[2-(tert-butylamino)-2-oxoethyl]-methylamino]-2-oxoethyl] adamantane-1-carboxylate has a molecular weight of 364.49 g/mol, XLogP of 2.12, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[[2-(tert-butylamino)-2-oxoethyl]-methylamino]-2-oxoethyl] adamantane-1-carboxylate is sourced from PubChem (CID 9017841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).