N-butyl-3-(3,3-dimethylbutoxy)-N-methylpropanamide;ethane

C16H35NO2 — CID 155713628

IUPACN-butyl-3-(3,3-dimethylbutoxy)-N-methylpropanamide;ethane
SMILESCC.CCCCN(C)C(=O)CCOCCC(C)(C)C
InChIInChI=1S/C14H29NO2.C2H6/c1-6-7-10-15(5)13(16)8-11-17-12-9-14(2,3)4;1-2/h6-12H2,1-5H3;1-2H3
InChIKeyKLSHJUZEZXOPEZ-UHFFFAOYSA-N
MW273.46 g/mol
LogP4.11
Rot. Bonds8

About N-butyl-3-(3,3-dimethylbutoxy)-N-methylpropanamide;ethane

N-butyl-3-(3,3-dimethylbutoxy)-N-methylpropanamide;ethane (PubChem CID 155713628) has the molecular formula C16H35NO2 and a molecular weight of 273.46 g/mol. Its IUPAC name is N-butyl-3-(3,3-dimethylbutoxy)-N-methylpropanamide;ethane.

Molecular Properties

Compound NameN-butyl-3-(3,3-dimethylbutoxy)-N-methylpropanamide;ethane
PubChem CID155713628
Molecular FormulaC16H35NO2
Molecular Weight273.46 g/mol
Exact Mass273.27
IUPAC NameN-butyl-3-(3,3-dimethylbutoxy)-N-methylpropanamide;ethane
SMILESCC.CCCCN(C)C(=O)CCOCCC(C)(C)C
InChIInChI=1S/C14H29NO2.C2H6/c1-6-7-10-15(5)13(16)8-11-17-12-9-14(2,3)4;1-2/h6-12H2,1-5H3;1-2H3
InChIKeyKLSHJUZEZXOPEZ-UHFFFAOYSA-N
XLogP4.11
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.46
LogP ≤ 54.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3-butoxy-N-ethyl-N-propylpropanamide
CID 87235349
3-butoxy-N,N-diethylpropanamide
CID 87235403
3-butoxy-N-ethyl-N-methylpropanamide
CID 87235688
3-butoxy-N,N-dipropylpropanamide
CID 87235757
3-butoxy-N-methyl-N-propylpropanamide
CID 87235777
3-butoxy-2-methyl-N,N-dipropylpropanamide
CID 89427266
3-butoxy-N,N-diethyl-2-methylpropanamide
CID 89427330
3-butoxy-N,N-dibutylpropanamide
CID 89953383
N,N-dibutyl-3-propoxypropanamide
CID 90074362
N,N-dibutyl-3-ethoxypropanamide
CID 90074583
3-butoxy-N-ethyl-N,2-dimethylpropanamide
CID 117873768
N-(2,2-dimethylpropyl)-3-(3-methoxy-3-methylbutoxy)-3-methyl-N-(2,4,4-trimethylpentan-2-yl)butanamide
CID 130346866

Frequently Asked Questions

What is the IUPAC name of N-butyl-3-(3,3-dimethylbutoxy)-N-methylpropanamide;ethane?
The IUPAC name of N-butyl-3-(3,3-dimethylbutoxy)-N-methylpropanamide;ethane (CID 155713628) is N-butyl-3-(3,3-dimethylbutoxy)-N-methylpropanamide;ethane.
What is the SMILES notation for N-butyl-3-(3,3-dimethylbutoxy)-N-methylpropanamide;ethane?
The canonical SMILES for N-butyl-3-(3,3-dimethylbutoxy)-N-methylpropanamide;ethane is CC.CCCCN(C)C(=O)CCOCCC(C)(C)C.
What is the InChIKey of N-butyl-3-(3,3-dimethylbutoxy)-N-methylpropanamide;ethane?
The InChIKey is KLSHJUZEZXOPEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29NO2.C2H6/c1-6-7-10-15(5)13(16)8-11-17-12-9-14(2,3)4;1-2/h6-12H2,1-5H3;1-2H3.
What are the key properties of N-butyl-3-(3,3-dimethylbutoxy)-N-methylpropanamide;ethane?
N-butyl-3-(3,3-dimethylbutoxy)-N-methylpropanamide;ethane has a molecular weight of 273.46 g/mol, XLogP of 4.11, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-3-(3,3-dimethylbutoxy)-N-methylpropanamide;ethane is sourced from PubChem (CID 155713628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).