N-[3-(2,2-dimethylpropoxy)-2,2-dimethylpropyl]propanamide

C13H27NO2 — CID 130332874

IUPACN-[3-(2,2-dimethylpropoxy)-2,2-dimethylpropyl]propanamide
SMILESCCC(=O)NCC(C)(C)COCC(C)(C)C
InChIInChI=1S/C13H27NO2/c1-7-11(15)14-8-13(5,6)10-16-9-12(2,3)4/h7-10H2,1-6H3,(H,14,15)
InChIKeyXOCCUKSSDZTBIR-UHFFFAOYSA-N
MW229.36 g/mol
LogP2.60
Rot. Bonds6

About N-[3-(2,2-dimethylpropoxy)-2,2-dimethylpropyl]propanamide

N-[3-(2,2-dimethylpropoxy)-2,2-dimethylpropyl]propanamide (PubChem CID 130332874) has the molecular formula C13H27NO2 and a molecular weight of 229.36 g/mol. Its IUPAC name is N-[3-(2,2-dimethylpropoxy)-2,2-dimethylpropyl]propanamide.

Molecular Properties

Compound NameN-[3-(2,2-dimethylpropoxy)-2,2-dimethylpropyl]propanamide
PubChem CID130332874
Molecular FormulaC13H27NO2
Molecular Weight229.36 g/mol
Exact Mass229.20
IUPAC NameN-[3-(2,2-dimethylpropoxy)-2,2-dimethylpropyl]propanamide
SMILESCCC(=O)NCC(C)(C)COCC(C)(C)C
InChIInChI=1S/C13H27NO2/c1-7-11(15)14-8-13(5,6)10-16-9-12(2,3)4/h7-10H2,1-6H3,(H,14,15)
InChIKeyXOCCUKSSDZTBIR-UHFFFAOYSA-N
XLogP2.60
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.36
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[3-(2,2-dimethylbutoxy)-2,2-dimethylpropyl]hexadecanamide
CID 162756117
N-[3-[3-(butanoylamino)-2,2-dimethylpropoxy]-2,2-dimethylpropyl]-3-methylbutanamide
CID 129177621
N-[3-(dimethylamino)-2,2-dimethylpropyl]propanamide
CID 59842400
N-[2-[[3-[3-(butanoylamino)-2,2-dimethylpropoxy]-2,2-dimethylpropyl]amino]-2-oxoethyl]hexanamide
CID 170966316
methyl N-[[3-(2,2-dimethylpropoxy)-2,2-dimethylpropyl]sulfamoyl]carbamate
CID 155246171
N-[3-(3-amino-2,2-dimethylpropoxy)-2,2-dimethylpropyl]-4-methoxy-3,3-dimethylbutanamide
CID 170012588
1-(2,2-dimethylpropoxy)-3-[3-[3-(2,2-dimethylpropoxy)-2,2-dimethylpropoxy]-2,2-dimethylpropoxy]-2,2-dimethylpropane
CID 58571431
3-[2-[2-[2-[2-(2,2-dimethylpropoxy)ethoxy]ethoxy]ethoxy]ethoxy]-N-(2,2-dimethylpropyl)propanamide
CID 168855323
4-[2,2-dimethyl-3-(methylamino)propoxy]-N,3,3-trimethylbutanamide
CID 139306329
N-[3-(2-ethyl-2,4-dimethylpentoxy)-2,2-dimethylpropyl]butanamide
CID 178123006
N-[3-[3-[(3,3-dimethyl-4-phosphanyloxybutanoyl)amino]-2,2-dimethylpropoxy]-2,2-dimethylpropyl]-2,2,5,5-tetramethylhexanamide
CID 170210594
2-methylpropane;propane;N-(2,2,4,4-tetramethylhexyl)propanamide
CID 167513354

Frequently Asked Questions

What is the IUPAC name of N-[3-(2,2-dimethylpropoxy)-2,2-dimethylpropyl]propanamide?
The IUPAC name of N-[3-(2,2-dimethylpropoxy)-2,2-dimethylpropyl]propanamide (CID 130332874) is N-[3-(2,2-dimethylpropoxy)-2,2-dimethylpropyl]propanamide.
What is the SMILES notation for N-[3-(2,2-dimethylpropoxy)-2,2-dimethylpropyl]propanamide?
The canonical SMILES for N-[3-(2,2-dimethylpropoxy)-2,2-dimethylpropyl]propanamide is CCC(=O)NCC(C)(C)COCC(C)(C)C.
What is the InChIKey of N-[3-(2,2-dimethylpropoxy)-2,2-dimethylpropyl]propanamide?
The InChIKey is XOCCUKSSDZTBIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27NO2/c1-7-11(15)14-8-13(5,6)10-16-9-12(2,3)4/h7-10H2,1-6H3,(H,14,15).
What are the key properties of N-[3-(2,2-dimethylpropoxy)-2,2-dimethylpropyl]propanamide?
N-[3-(2,2-dimethylpropoxy)-2,2-dimethylpropyl]propanamide has a molecular weight of 229.36 g/mol, XLogP of 2.60, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(2,2-dimethylpropoxy)-2,2-dimethylpropyl]propanamide is sourced from PubChem (CID 130332874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).