tert-butyl N-(4,4-dimethyl-3-oxoheptyl)carbamate

C14H27NO3 — CID 170717400

IUPACtert-butyl N-(4,4-dimethyl-3-oxoheptyl)carbamate
SMILESCCCC(C)(C)C(=O)CCNC(=O)OC(C)(C)C
InChIInChI=1S/C14H27NO3/c1-7-9-14(5,6)11(16)8-10-15-12(17)18-13(2,3)4/h7-10H2,1-6H3,(H,15,17)
InChIKeyJXEWGAIOMNNNRQ-UHFFFAOYSA-N
MW257.37 g/mol
LogP3.30
Rot. Bonds6

About tert-butyl N-(4,4-dimethyl-3-oxoheptyl)carbamate

tert-butyl N-(4,4-dimethyl-3-oxoheptyl)carbamate (PubChem CID 170717400) has the molecular formula C14H27NO3 and a molecular weight of 257.37 g/mol. Its IUPAC name is tert-butyl N-(4,4-dimethyl-3-oxoheptyl)carbamate.

Molecular Properties

Compound Nametert-butyl N-(4,4-dimethyl-3-oxoheptyl)carbamate
PubChem CID170717400
Molecular FormulaC14H27NO3
Molecular Weight257.37 g/mol
Exact Mass257.20
IUPAC Nametert-butyl N-(4,4-dimethyl-3-oxoheptyl)carbamate
SMILESCCCC(C)(C)C(=O)CCNC(=O)OC(C)(C)C
InChIInChI=1S/C14H27NO3/c1-7-9-14(5,6)11(16)8-10-15-12(17)18-13(2,3)4/h7-10H2,1-6H3,(H,15,17)
InChIKeyJXEWGAIOMNNNRQ-UHFFFAOYSA-N
XLogP3.30
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.37
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze tert-butyl N-(4,4-dimethyl-3-oxoheptyl)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

tert-butyl N-[2-(butanoylamino)ethyl]carbamate
CID 88931890
tert-butyl N-butylcarbamate;methane
CID 153346289
methyl 3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate
CID 11687095
tert-butyl N-(3-hydroxybut-3-enyl)carbamate
CID 45091853
3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid;molecular hydrogen
CID 143124264
ethyl 3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate
CID 15933116
tert-butyl N-(4-chloro-3-oxobutyl)carbamate
CID 104700691
tert-butyl N-[2-(propylamino)ethyl]carbamate
CID 14925149
tert-butyl N-pentylcarbamate;bis(pentane)
CID 171066640
tert-butyl N-(4-amino-3-oxobutyl)carbamate
CID 96619413
tert-butyl N-nonylcarbamate;ethane
CID 168941348
tert-butyl N-(3-hydroxypent-3-enyl)carbamate
CID 118047416

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-(4,4-dimethyl-3-oxoheptyl)carbamate?
The IUPAC name of tert-butyl N-(4,4-dimethyl-3-oxoheptyl)carbamate (CID 170717400) is tert-butyl N-(4,4-dimethyl-3-oxoheptyl)carbamate.
What is the SMILES notation for tert-butyl N-(4,4-dimethyl-3-oxoheptyl)carbamate?
The canonical SMILES for tert-butyl N-(4,4-dimethyl-3-oxoheptyl)carbamate is CCCC(C)(C)C(=O)CCNC(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl N-(4,4-dimethyl-3-oxoheptyl)carbamate?
The InChIKey is JXEWGAIOMNNNRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27NO3/c1-7-9-14(5,6)11(16)8-10-15-12(17)18-13(2,3)4/h7-10H2,1-6H3,(H,15,17).
What are the key properties of tert-butyl N-(4,4-dimethyl-3-oxoheptyl)carbamate?
tert-butyl N-(4,4-dimethyl-3-oxoheptyl)carbamate has a molecular weight of 257.37 g/mol, XLogP of 3.30, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-(4,4-dimethyl-3-oxoheptyl)carbamate is sourced from PubChem (CID 170717400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).