tert-butyl N-(2,2,6,6-tetramethyl-3-oxoheptan-4-yl)carbamate

C16H31NO3 — CID 90394148

IUPACtert-butyl N-(2,2,6,6-tetramethyl-3-oxoheptan-4-yl)carbamate
SMILESCC(C)(C)CC(NC(=O)OC(C)(C)C)C(=O)C(C)(C)C
InChIInChI=1S/C16H31NO3/c1-14(2,3)10-11(12(18)15(4,5)6)17-13(19)20-16(7,8)9/h11H,10H2,1-9H3,(H,17,19)
InChIKeyNJJYZKNZHJYQRN-UHFFFAOYSA-N
MW285.43 g/mol
LogP3.93
Rot. Bonds3

About tert-butyl N-(2,2,6,6-tetramethyl-3-oxoheptan-4-yl)carbamate

tert-butyl N-(2,2,6,6-tetramethyl-3-oxoheptan-4-yl)carbamate (PubChem CID 90394148) has the molecular formula C16H31NO3 and a molecular weight of 285.43 g/mol. Its IUPAC name is tert-butyl N-(2,2,6,6-tetramethyl-3-oxoheptan-4-yl)carbamate.

Molecular Properties

Compound Nametert-butyl N-(2,2,6,6-tetramethyl-3-oxoheptan-4-yl)carbamate
PubChem CID90394148
Molecular FormulaC16H31NO3
Molecular Weight285.43 g/mol
Exact Mass285.23
IUPAC Nametert-butyl N-(2,2,6,6-tetramethyl-3-oxoheptan-4-yl)carbamate
SMILESCC(C)(C)CC(NC(=O)OC(C)(C)C)C(=O)C(C)(C)C
InChIInChI=1S/C16H31NO3/c1-14(2,3)10-11(12(18)15(4,5)6)17-13(19)20-16(7,8)9/h11H,10H2,1-9H3,(H,17,19)
InChIKeyNJJYZKNZHJYQRN-UHFFFAOYSA-N
XLogP3.93
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.43
LogP ≤ 53.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze tert-butyl N-(2,2,6,6-tetramethyl-3-oxoheptan-4-yl)carbamate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2R)-4,4-dimethyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoic acid
CID 7021114
tert-butyl N-(2,2,10,10-tetramethyl-3-oxoundecan-4-yl)carbamate
CID 158175189
tert-butyl N-[(4S)-1-amino-6,6-dimethyl-1,5-dioxoheptan-4-yl]carbamate
CID 140914884
2-[[(2R)-4,4-dimethyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoyl]amino]acetic acid
CID 153047675
tert-butyl N-(4,4-dimethylpentan-2-yl)carbamate
CID 59686952
tert-butyl N-(4,4-dimethyl-3-oxopentan-2-yl)carbamate
CID 72641150
tert-butyl N-[(2R)-1-(cyclohexylamino)-4,4-dimethyl-1-oxopentan-2-yl]carbamate;carbonic acid
CID 68800624
(2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoic acid
CID 2755934
(2S)-4,4-difluoro-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoic acid
CID 54117720
tert-butyl N-[(1S)-1-cyano-3,3-dimethylbutyl]carbamate
CID 129050700
CID 162513184
CID 162513184
tert-butyl N-[(2S)-1,4-diamino-1,4-dioxobutan-2-yl]carbamate
CID 7034344

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-(2,2,6,6-tetramethyl-3-oxoheptan-4-yl)carbamate?
The IUPAC name of tert-butyl N-(2,2,6,6-tetramethyl-3-oxoheptan-4-yl)carbamate (CID 90394148) is tert-butyl N-(2,2,6,6-tetramethyl-3-oxoheptan-4-yl)carbamate.
What is the SMILES notation for tert-butyl N-(2,2,6,6-tetramethyl-3-oxoheptan-4-yl)carbamate?
The canonical SMILES for tert-butyl N-(2,2,6,6-tetramethyl-3-oxoheptan-4-yl)carbamate is CC(C)(C)CC(NC(=O)OC(C)(C)C)C(=O)C(C)(C)C.
What is the InChIKey of tert-butyl N-(2,2,6,6-tetramethyl-3-oxoheptan-4-yl)carbamate?
The InChIKey is NJJYZKNZHJYQRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H31NO3/c1-14(2,3)10-11(12(18)15(4,5)6)17-13(19)20-16(7,8)9/h11H,10H2,1-9H3,(H,17,19).
What are the key properties of tert-butyl N-(2,2,6,6-tetramethyl-3-oxoheptan-4-yl)carbamate?
tert-butyl N-(2,2,6,6-tetramethyl-3-oxoheptan-4-yl)carbamate has a molecular weight of 285.43 g/mol, XLogP of 3.93, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-(2,2,6,6-tetramethyl-3-oxoheptan-4-yl)carbamate is sourced from PubChem (CID 90394148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).