propanamide;2,2,4-trimethyl-4-(3-methylbutoxy)pentane

C16H35NO2 — CID 167513215

IUPACpropanamide;2,2,4-trimethyl-4-(3-methylbutoxy)pentane
SMILESCC(C)CCOC(C)(C)CC(C)(C)C.CCC(N)=O
InChIInChI=1S/C13H28O.C3H7NO/c1-11(2)8-9-14-13(6,7)10-12(3,4)5;1-2-3(4)5/h11H,8-10H2,1-7H3;2H2,1H3,(H2,4,5)
InChIKeyZNXXSMXHLBUINX-UHFFFAOYSA-N
MW273.46 g/mol
LogP4.15
Rot. Bonds6

About propanamide;2,2,4-trimethyl-4-(3-methylbutoxy)pentane

propanamide;2,2,4-trimethyl-4-(3-methylbutoxy)pentane (PubChem CID 167513215) has the molecular formula C16H35NO2 and a molecular weight of 273.46 g/mol. Its IUPAC name is propanamide;2,2,4-trimethyl-4-(3-methylbutoxy)pentane.

Molecular Properties

Compound Namepropanamide;2,2,4-trimethyl-4-(3-methylbutoxy)pentane
PubChem CID167513215
Molecular FormulaC16H35NO2
Molecular Weight273.46 g/mol
Exact Mass273.27
IUPAC Namepropanamide;2,2,4-trimethyl-4-(3-methylbutoxy)pentane
SMILESCC(C)CCOC(C)(C)CC(C)(C)C.CCC(N)=O
InChIInChI=1S/C13H28O.C3H7NO/c1-11(2)8-9-14-13(6,7)10-12(3,4)5;1-2-3(4)5/h11H,8-10H2,1-7H3;2H2,1H3,(H2,4,5)
InChIKeyZNXXSMXHLBUINX-UHFFFAOYSA-N
XLogP4.15
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.46
LogP ≤ 54.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-(2,4,4-trimethylpentan-2-yloxy)butanamide
CID 138571120
N-[3-methyl-3-(3-methylbutoxy)butyl]propanamide
CID 147929425
2,5-dimethyl-5-(3-methylbutoxy)hexan-3-one;6-methyl-5-oxoheptanamide
CID 171804821
4-methyl-4-(3-methylbutoxy)pentanoic acid
CID 89044410
2,2,5-trimethyl-5-(3-methylbutoxy)hexane
CID 123343377
methanamine;N-[3-methyl-3-(3-methylbutoxy)butyl]acetamide
CID 156868708
2-amino-6,6-dimethyl-2-(3-methylbutoxy)heptan-4-one
CID 167018101
2-(3-methylbutoxy)butan-2-amine
CID 176953255
2-methyl-2,5-bis(3-methylbutoxy)hexane
CID 90290201
methanamine;3-methyl-1-(2-methyl-1-propan-2-yloxypropan-2-yl)oxybutane
CID 178134897
bis(3-methylbutyl) (Z)-2,3-diethylbut-2-enedioate
CID 174863157
3-methylbutyl 2-amino-2-methylbutanoate
CID 79798258

Frequently Asked Questions

What is the IUPAC name of propanamide;2,2,4-trimethyl-4-(3-methylbutoxy)pentane?
The IUPAC name of propanamide;2,2,4-trimethyl-4-(3-methylbutoxy)pentane (CID 167513215) is propanamide;2,2,4-trimethyl-4-(3-methylbutoxy)pentane.
What is the SMILES notation for propanamide;2,2,4-trimethyl-4-(3-methylbutoxy)pentane?
The canonical SMILES for propanamide;2,2,4-trimethyl-4-(3-methylbutoxy)pentane is CC(C)CCOC(C)(C)CC(C)(C)C.CCC(N)=O.
What is the InChIKey of propanamide;2,2,4-trimethyl-4-(3-methylbutoxy)pentane?
The InChIKey is ZNXXSMXHLBUINX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H28O.C3H7NO/c1-11(2)8-9-14-13(6,7)10-12(3,4)5;1-2-3(4)5/h11H,8-10H2,1-7H3;2H2,1H3,(H2,4,5).
What are the key properties of propanamide;2,2,4-trimethyl-4-(3-methylbutoxy)pentane?
propanamide;2,2,4-trimethyl-4-(3-methylbutoxy)pentane has a molecular weight of 273.46 g/mol, XLogP of 4.15, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for propanamide;2,2,4-trimethyl-4-(3-methylbutoxy)pentane is sourced from PubChem (CID 167513215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).