3-(3,5-ditert-butylphenyl)propanamide

C17H27NO — CID 58456414

IUPAC3-(3,5-ditert-butylphenyl)propanamide
SMILESCC(C)(C)c1cc(CCC(N)=O)cc(C(C)(C)C)c1
InChIInChI=1S/C17H27NO/c1-16(2,3)13-9-12(7-8-15(18)19)10-14(11-13)17(4,5)6/h9-11H,7-8H2,1-6H3,(H2,18,19)
InChIKeyQPQIFMAXTOQTOA-UHFFFAOYSA-N
MW261.41 g/mol
LogP3.70
Rot. Bonds3

About 3-(3,5-ditert-butylphenyl)propanamide

3-(3,5-ditert-butylphenyl)propanamide (PubChem CID 58456414) has the molecular formula C17H27NO and a molecular weight of 261.41 g/mol. Its IUPAC name is 3-(3,5-ditert-butylphenyl)propanamide.

Molecular Properties

Compound Name3-(3,5-ditert-butylphenyl)propanamide
PubChem CID58456414
Molecular FormulaC17H27NO
Molecular Weight261.41 g/mol
Exact Mass261.21
IUPAC Name3-(3,5-ditert-butylphenyl)propanamide
SMILESCC(C)(C)c1cc(CCC(N)=O)cc(C(C)(C)C)c1
InChIInChI=1S/C17H27NO/c1-16(2,3)13-9-12(7-8-15(18)19)10-14(11-13)17(4,5)6/h9-11H,7-8H2,1-6H3,(H2,18,19)
InChIKeyQPQIFMAXTOQTOA-UHFFFAOYSA-N
XLogP3.70
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.41
LogP ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

3-(3,5-ditert-butyl-4-hydroxyphenyl)propanamide;2-methylpropane
CID 143771604
[4-(3-amino-3-oxopropyl)-2,6-ditert-butylphenyl] dihydrogen phosphite
CID 175356986
(3,5-ditert-butylphenyl)methyl hydrogen carbonate
CID 67161343
3-[4-(3-amino-3-oxopropyl)phenyl]propanamide
CID 102388205
4-(4-tert-butylphenyl)butanamide
CID 20619639
4-(3-tert-butyl-5-methylphenyl)butanoic acid
CID 56976485
2-bicyclo[2.2.1]hept-5-enylmethyl 3-(3,5-ditert-butylphenyl)propanoate
CID 139357211
ethane;3-(4-methylphenyl)propanamide
CID 142510251
(3,5-ditert-butylphenyl)methyl 2-sulfanylacetate
CID 150332796
2-[3-(4-aminobutyl)-5-tert-butylphenyl]ethylurea
CID 70646192
3-[3-tert-butyl-5-(3-hydroxypropyl)phenyl]propan-1-ol
CID 71150816
carbonic acid;3-phenylpropanamide
CID 174965682

Frequently Asked Questions

What is the IUPAC name of 3-(3,5-ditert-butylphenyl)propanamide?
The IUPAC name of 3-(3,5-ditert-butylphenyl)propanamide (CID 58456414) is 3-(3,5-ditert-butylphenyl)propanamide.
What is the SMILES notation for 3-(3,5-ditert-butylphenyl)propanamide?
The canonical SMILES for 3-(3,5-ditert-butylphenyl)propanamide is CC(C)(C)c1cc(CCC(N)=O)cc(C(C)(C)C)c1.
What is the InChIKey of 3-(3,5-ditert-butylphenyl)propanamide?
The InChIKey is QPQIFMAXTOQTOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27NO/c1-16(2,3)13-9-12(7-8-15(18)19)10-14(11-13)17(4,5)6/h9-11H,7-8H2,1-6H3,(H2,18,19).
What are the key properties of 3-(3,5-ditert-butylphenyl)propanamide?
3-(3,5-ditert-butylphenyl)propanamide has a molecular weight of 261.41 g/mol, XLogP of 3.70, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,5-ditert-butylphenyl)propanamide is sourced from PubChem (CID 58456414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).