2,2-dimethylpropyl N-(2,5,5,7-tetramethyl-3,6-dioxooctan-2-yl)carbamate

C18H33NO4 — CID 158591435

IUPAC2,2-dimethylpropyl N-(2,5,5,7-tetramethyl-3,6-dioxooctan-2-yl)carbamate
SMILESCC(C)C(=O)C(C)(C)CC(=O)C(C)(C)NC(=O)OCC(C)(C)C
InChIInChI=1S/C18H33NO4/c1-12(2)14(21)17(6,7)10-13(20)18(8,9)19-15(22)23-11-16(3,4)5/h12H,10-11H2,1-9H3,(H,19,22)
InChIKeySAMULNHEFOVOEY-UHFFFAOYSA-N
MW327.47 g/mol
LogP3.75
Rot. Bonds7

About 2,2-dimethylpropyl N-(2,5,5,7-tetramethyl-3,6-dioxooctan-2-yl)carbamate

2,2-dimethylpropyl N-(2,5,5,7-tetramethyl-3,6-dioxooctan-2-yl)carbamate (PubChem CID 158591435) has the molecular formula C18H33NO4 and a molecular weight of 327.47 g/mol. Its IUPAC name is 2,2-dimethylpropyl N-(2,5,5,7-tetramethyl-3,6-dioxooctan-2-yl)carbamate.

Molecular Properties

Compound Name2,2-dimethylpropyl N-(2,5,5,7-tetramethyl-3,6-dioxooctan-2-yl)carbamate
PubChem CID158591435
Molecular FormulaC18H33NO4
Molecular Weight327.47 g/mol
Exact Mass327.24
IUPAC Name2,2-dimethylpropyl N-(2,5,5,7-tetramethyl-3,6-dioxooctan-2-yl)carbamate
SMILESCC(C)C(=O)C(C)(C)CC(=O)C(C)(C)NC(=O)OCC(C)(C)C
InChIInChI=1S/C18H33NO4/c1-12(2)14(21)17(6,7)10-13(20)18(8,9)19-15(22)23-11-16(3,4)5/h12H,10-11H2,1-9H3,(H,19,22)
InChIKeySAMULNHEFOVOEY-UHFFFAOYSA-N
XLogP3.75
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.47
LogP ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2,2-dimethylpropyl N-tert-butylcarbamate
CID 11171443
2,2-dimethylpropyl N-[1-[[1-(tert-butylamino)-2-methyl-1-oxopropan-2-yl]amino]-2-methyl-1-oxopropan-2-yl]carbamate
CID 139295027
2,2-dimethylpropoxycarbonylcarbamic acid
CID 141398884
2,2-dimethylpropyl N-[1,1,1-trifluoro-2-(trifluoromethyl)butan-2-yl]carbamate
CID 71672217
2,2-dimethylpropyl (2R)-2-aminopropanoate
CID 86662579
ethyl N-(4-chloro-2-methyl-3-oxobutan-2-yl)carbamate
CID 104701003
bis(2,2-dimethylpropyl) 2,3-bis(2,2-dimethylpropyl)butanedioate
CID 22241877
bis(2,2-dimethylpropyl) 2,3-di(propan-2-yl)butanedioate
CID 22241836
bis(2,2-dimethylpropyl) 2,3-bis(3-methylbutyl)butanedioate
CID 22241845
1-methoxy-2,2,6-trimethylheptane-3,5-dione
CID 88959236
2,2-dimethylpropyl acetate
CID 13552
3-(2,2-dimethylpropoxycarbonyl)-6-methyl-2-(3-methylbutyl)heptanoic acid
CID 151822493

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethylpropyl N-(2,5,5,7-tetramethyl-3,6-dioxooctan-2-yl)carbamate?
The IUPAC name of 2,2-dimethylpropyl N-(2,5,5,7-tetramethyl-3,6-dioxooctan-2-yl)carbamate (CID 158591435) is 2,2-dimethylpropyl N-(2,5,5,7-tetramethyl-3,6-dioxooctan-2-yl)carbamate.
What is the SMILES notation for 2,2-dimethylpropyl N-(2,5,5,7-tetramethyl-3,6-dioxooctan-2-yl)carbamate?
The canonical SMILES for 2,2-dimethylpropyl N-(2,5,5,7-tetramethyl-3,6-dioxooctan-2-yl)carbamate is CC(C)C(=O)C(C)(C)CC(=O)C(C)(C)NC(=O)OCC(C)(C)C.
What is the InChIKey of 2,2-dimethylpropyl N-(2,5,5,7-tetramethyl-3,6-dioxooctan-2-yl)carbamate?
The InChIKey is SAMULNHEFOVOEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H33NO4/c1-12(2)14(21)17(6,7)10-13(20)18(8,9)19-15(22)23-11-16(3,4)5/h12H,10-11H2,1-9H3,(H,19,22).
What are the key properties of 2,2-dimethylpropyl N-(2,5,5,7-tetramethyl-3,6-dioxooctan-2-yl)carbamate?
2,2-dimethylpropyl N-(2,5,5,7-tetramethyl-3,6-dioxooctan-2-yl)carbamate has a molecular weight of 327.47 g/mol, XLogP of 3.75, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethylpropyl N-(2,5,5,7-tetramethyl-3,6-dioxooctan-2-yl)carbamate is sourced from PubChem (CID 158591435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).