[2-[(1-methoxy-3-methyl-1-oxopentan-2-yl)amino]-2-oxoethyl] adamantane-1-carboxylate

C20H31NO5 — CID 18201052

IUPAC[2-[(1-methoxy-3-methyl-1-oxopentan-2-yl)amino]-2-oxoethyl] adamantane-1-carboxylate
SMILESCCC(C)C(NC(=O)COC(=O)C12CC3CC(CC(C3)C1)C2)C(=O)OC
InChIInChI=1S/C20H31NO5/c1-4-12(2)17(18(23)25-3)21-16(22)11-26-19(24)20-8-13-5-14(9-20)7-15(6-13)10-20/h12-15,17H,4-11H2,1-3H3,(H,21,22)
InChIKeyDZOCPQRHEKEIHM-UHFFFAOYSA-N
MW365.47 g/mol
LogP2.45
Rot. Bonds7

About [2-[(1-methoxy-3-methyl-1-oxopentan-2-yl)amino]-2-oxoethyl] adamantane-1-carboxylate

[2-[(1-methoxy-3-methyl-1-oxopentan-2-yl)amino]-2-oxoethyl] adamantane-1-carboxylate (PubChem CID 18201052) has the molecular formula C20H31NO5 and a molecular weight of 365.47 g/mol. Its IUPAC name is [2-[(1-methoxy-3-methyl-1-oxopentan-2-yl)amino]-2-oxoethyl] adamantane-1-carboxylate.

Molecular Properties

Compound Name[2-[(1-methoxy-3-methyl-1-oxopentan-2-yl)amino]-2-oxoethyl] adamantane-1-carboxylate
PubChem CID18201052
Molecular FormulaC20H31NO5
Molecular Weight365.47 g/mol
Exact Mass365.22
IUPAC Name[2-[(1-methoxy-3-methyl-1-oxopentan-2-yl)amino]-2-oxoethyl] adamantane-1-carboxylate
SMILESCCC(C)C(NC(=O)COC(=O)C12CC3CC(CC(C3)C1)C2)C(=O)OC
InChIInChI=1S/C20H31NO5/c1-4-12(2)17(18(23)25-3)21-16(22)11-26-19(24)20-8-13-5-14(9-20)7-15(6-13)10-20/h12-15,17H,4-11H2,1-3H3,(H,21,22)
InChIKeyDZOCPQRHEKEIHM-UHFFFAOYSA-N
XLogP2.45
TPSA81.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.47
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[2-oxo-2-[[(2S)-1-oxo-1-(propylamino)propan-2-yl]amino]ethyl] adamantane-1-carboxylate
CID 9017863
[2-[[(2S,3R)-1-methoxy-3-methyl-1-oxopentan-2-yl]amino]-2-oxoethyl] 1-phenylcyclopropane-1-carboxylate
CID 8641475
[2-[[(2R,3R)-1-methoxy-3-methyl-1-oxopentan-2-yl]amino]-2-oxoethyl] 1-phenylcyclopropane-1-carboxylate
CID 8641485
[2-[(1-methoxy-3-methyl-1-oxopentan-2-yl)amino]-2-oxoethyl] 1-phenylcyclopropane-1-carboxylate
CID 18201850
[2-(carbamoylamino)-2-oxoethyl] adamantane-1-carboxylate
CID 4534845
[2-(methylcarbamoylamino)-2-oxoethyl] adamantane-1-carboxylate
CID 4310551
[2-[[(2S,3R)-1-methoxy-3-methyl-1-oxopentan-2-yl]amino]-2-oxoethyl] 1-(4-chlorophenyl)cyclopropane-1-carboxylate
CID 8642318
[2-[[(1R)-1-(1-adamantyl)ethyl]amino]-2-oxoethyl] (5S,7R)-3-chloroadamantane-1-carboxylate
CID 7843970
methyl (2S)-2-[[(2S)-2-[[(2S)-2-(adamantane-1-carbonylamino)-3-methylbutanoyl]amino]-3-methylpentanoyl]amino]propanoate
CID 22216511
[2-(2-adamantylamino)-2-oxoethyl] adamantane-1-carboxylate
CID 7514400
3-fluoropentyl adamantane-1-carboxylate
CID 131973007
methyl (2S,3S)-3-methyl-2-[[(1R,2R)-2-methylcyclopropanecarbonyl]amino]pentanoate
CID 124824414

Frequently Asked Questions

What is the IUPAC name of [2-[(1-methoxy-3-methyl-1-oxopentan-2-yl)amino]-2-oxoethyl] adamantane-1-carboxylate?
The IUPAC name of [2-[(1-methoxy-3-methyl-1-oxopentan-2-yl)amino]-2-oxoethyl] adamantane-1-carboxylate (CID 18201052) is [2-[(1-methoxy-3-methyl-1-oxopentan-2-yl)amino]-2-oxoethyl] adamantane-1-carboxylate.
What is the SMILES notation for [2-[(1-methoxy-3-methyl-1-oxopentan-2-yl)amino]-2-oxoethyl] adamantane-1-carboxylate?
The canonical SMILES for [2-[(1-methoxy-3-methyl-1-oxopentan-2-yl)amino]-2-oxoethyl] adamantane-1-carboxylate is CCC(C)C(NC(=O)COC(=O)C12CC3CC(CC(C3)C1)C2)C(=O)OC.
What is the InChIKey of [2-[(1-methoxy-3-methyl-1-oxopentan-2-yl)amino]-2-oxoethyl] adamantane-1-carboxylate?
The InChIKey is DZOCPQRHEKEIHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H31NO5/c1-4-12(2)17(18(23)25-3)21-16(22)11-26-19(24)20-8-13-5-14(9-20)7-15(6-13)10-20/h12-15,17H,4-11H2,1-3H3,(H,21,22).
What are the key properties of [2-[(1-methoxy-3-methyl-1-oxopentan-2-yl)amino]-2-oxoethyl] adamantane-1-carboxylate?
[2-[(1-methoxy-3-methyl-1-oxopentan-2-yl)amino]-2-oxoethyl] adamantane-1-carboxylate has a molecular weight of 365.47 g/mol, XLogP of 2.45, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(1-methoxy-3-methyl-1-oxopentan-2-yl)amino]-2-oxoethyl] adamantane-1-carboxylate is sourced from PubChem (CID 18201052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).