[1-(1-adamantylamino)-2-methyl-1-oxopropan-2-yl] 2,2-dimethylpropanoate

C19H31NO3 — CID 101333972

IUPAC[1-(1-adamantylamino)-2-methyl-1-oxopropan-2-yl] 2,2-dimethylpropanoate
SMILESCC(C)(C)C(=O)OC(C)(C)C(=O)NC12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C19H31NO3/c1-17(2,3)16(22)23-18(4,5)15(21)20-19-9-12-6-13(10-19)8-14(7-12)11-19/h12-14H,6-11H2,1-5H3,(H,20,21)
InChIKeyYIOSTCFYZRMJJY-UHFFFAOYSA-N
MW321.46 g/mol
LogP3.44
Rot. Bonds3

About [1-(1-adamantylamino)-2-methyl-1-oxopropan-2-yl] 2,2-dimethylpropanoate

[1-(1-adamantylamino)-2-methyl-1-oxopropan-2-yl] 2,2-dimethylpropanoate (PubChem CID 101333972) has the molecular formula C19H31NO3 and a molecular weight of 321.46 g/mol. Its IUPAC name is [1-(1-adamantylamino)-2-methyl-1-oxopropan-2-yl] 2,2-dimethylpropanoate.

Molecular Properties

Compound Name[1-(1-adamantylamino)-2-methyl-1-oxopropan-2-yl] 2,2-dimethylpropanoate
PubChem CID101333972
Molecular FormulaC19H31NO3
Molecular Weight321.46 g/mol
Exact Mass321.23
IUPAC Name[1-(1-adamantylamino)-2-methyl-1-oxopropan-2-yl] 2,2-dimethylpropanoate
SMILESCC(C)(C)C(=O)OC(C)(C)C(=O)NC12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C19H31NO3/c1-17(2,3)16(22)23-18(4,5)15(21)20-19-9-12-6-13(10-19)8-14(7-12)11-19/h12-14H,6-11H2,1-5H3,(H,20,21)
InChIKeyYIOSTCFYZRMJJY-UHFFFAOYSA-N
XLogP3.44
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.46
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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N-(1-adamantyl)-2-amino-2-ethylbutanamide
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N-(1-adamantyl)-2,2,3,3,3-pentafluoropropanamide
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N,N'-bis(1-adamantyl)-2,2-dimethylpropanimidamide
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CID 10737199
1-(1-adamantyl)-3-[(E)-2,3,3-trimethylbut-1-enyl]urea
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1-(1-adamantyl)-3-(dimethyl-λ4-sulfanylidene)urea
CID 176801954
tert-butyl N-(1-adamantylamino)carbamate
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[(2R)-1-(1-adamantylamino)-1-oxopropan-2-yl] 3,3-dimethylbutanoate
CID 7950815
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CID 129295001

Frequently Asked Questions

What is the IUPAC name of [1-(1-adamantylamino)-2-methyl-1-oxopropan-2-yl] 2,2-dimethylpropanoate?
The IUPAC name of [1-(1-adamantylamino)-2-methyl-1-oxopropan-2-yl] 2,2-dimethylpropanoate (CID 101333972) is [1-(1-adamantylamino)-2-methyl-1-oxopropan-2-yl] 2,2-dimethylpropanoate.
What is the SMILES notation for [1-(1-adamantylamino)-2-methyl-1-oxopropan-2-yl] 2,2-dimethylpropanoate?
The canonical SMILES for [1-(1-adamantylamino)-2-methyl-1-oxopropan-2-yl] 2,2-dimethylpropanoate is CC(C)(C)C(=O)OC(C)(C)C(=O)NC12CC3CC(CC(C3)C1)C2.
What is the InChIKey of [1-(1-adamantylamino)-2-methyl-1-oxopropan-2-yl] 2,2-dimethylpropanoate?
The InChIKey is YIOSTCFYZRMJJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H31NO3/c1-17(2,3)16(22)23-18(4,5)15(21)20-19-9-12-6-13(10-19)8-14(7-12)11-19/h12-14H,6-11H2,1-5H3,(H,20,21).
What are the key properties of [1-(1-adamantylamino)-2-methyl-1-oxopropan-2-yl] 2,2-dimethylpropanoate?
[1-(1-adamantylamino)-2-methyl-1-oxopropan-2-yl] 2,2-dimethylpropanoate has a molecular weight of 321.46 g/mol, XLogP of 3.44, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(1-adamantylamino)-2-methyl-1-oxopropan-2-yl] 2,2-dimethylpropanoate is sourced from PubChem (CID 101333972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).