N-(3,5-ditert-butyl-4-hydroxyphenyl)-3-(2-ethylhexoxy)propanamide

C25H43NO3 — CID 21446651

IUPACN-(3,5-ditert-butyl-4-hydroxyphenyl)-3-(2-ethylhexoxy)propanamide
SMILESCCCCC(CC)COCCC(=O)Nc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1
InChIInChI=1S/C25H43NO3/c1-9-11-12-18(10-2)17-29-14-13-22(27)26-19-15-20(24(3,4)5)23(28)21(16-19)25(6,7)8/h15-16,18,28H,9-14,17H2,1-8H3,(H,26,27)
InChIKeyOJEKXWKYEWOGBU-UHFFFAOYSA-N
MW405.62 g/mol
LogP6.55
Rot. Bonds10

About N-(3,5-ditert-butyl-4-hydroxyphenyl)-3-(2-ethylhexoxy)propanamide

N-(3,5-ditert-butyl-4-hydroxyphenyl)-3-(2-ethylhexoxy)propanamide (PubChem CID 21446651) has the molecular formula C25H43NO3 and a molecular weight of 405.62 g/mol. Its IUPAC name is N-(3,5-ditert-butyl-4-hydroxyphenyl)-3-(2-ethylhexoxy)propanamide.

Molecular Properties

Compound NameN-(3,5-ditert-butyl-4-hydroxyphenyl)-3-(2-ethylhexoxy)propanamide
PubChem CID21446651
Molecular FormulaC25H43NO3
Molecular Weight405.62 g/mol
Exact Mass405.32
IUPAC NameN-(3,5-ditert-butyl-4-hydroxyphenyl)-3-(2-ethylhexoxy)propanamide
SMILESCCCCC(CC)COCCC(=O)Nc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1
InChIInChI=1S/C25H43NO3/c1-9-11-12-18(10-2)17-29-14-13-22(27)26-19-15-20(24(3,4)5)23(28)21(16-19)25(6,7)8/h15-16,18,28H,9-14,17H2,1-8H3,(H,26,27)
InChIKeyOJEKXWKYEWOGBU-UHFFFAOYSA-N
XLogP6.55
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500405.62
LogP ≤ 56.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(4-aminophenyl)-3-(2-ethylhexoxy)propanamide
CID 43127152
N-(3,5-ditert-butyl-4-hydroxyphenyl)octanamide
CID 14988663
2-ethylhexyl 3-(3,5-ditert-butyl-4-hydroxyphenyl)propanoate
CID 11486113
N-(3,5-ditert-butyl-4-hydroxyphenyl)-10-hydrazinyl-10-oxodecanamide
CID 19902400
5-cyano-N-(3,5-ditert-butyl-4-hydroxyphenyl)pentanamide
CID 15170949
2-ethylhexyl 2-cyano-3-(3,5-ditert-butyl-4-hydroxyphenyl)prop-2-enoate
CID 54208122
N-(4-aminophenyl)-2-(2-ethylhexoxy)acetamide
CID 43127167
dimethyl 5-[3-(2-ethylhexoxy)propylcarbamoylamino]benzene-1,3-dicarboxylate
CID 5003240
2,6-ditert-butyl-4-(3-butylheptyl)phenol;2,6-ditert-butyl-4-[8-(3,5-ditert-butyl-4-hydroxyphenyl)octyl]phenol
CID 160518697
7-propylpentadecyl 3-(3,5-ditert-butyl-4-hydroxyphenyl)propanoate
CID 22561152
N-(3-tert-butyl-4-hydroxyphenyl)octadecanamide
CID 21290134
N-(3-tert-butyl-4-hydroxyphenyl)nonanamide
CID 21290138

Frequently Asked Questions

What is the IUPAC name of N-(3,5-ditert-butyl-4-hydroxyphenyl)-3-(2-ethylhexoxy)propanamide?
The IUPAC name of N-(3,5-ditert-butyl-4-hydroxyphenyl)-3-(2-ethylhexoxy)propanamide (CID 21446651) is N-(3,5-ditert-butyl-4-hydroxyphenyl)-3-(2-ethylhexoxy)propanamide.
What is the SMILES notation for N-(3,5-ditert-butyl-4-hydroxyphenyl)-3-(2-ethylhexoxy)propanamide?
The canonical SMILES for N-(3,5-ditert-butyl-4-hydroxyphenyl)-3-(2-ethylhexoxy)propanamide is CCCCC(CC)COCCC(=O)Nc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1.
What is the InChIKey of N-(3,5-ditert-butyl-4-hydroxyphenyl)-3-(2-ethylhexoxy)propanamide?
The InChIKey is OJEKXWKYEWOGBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H43NO3/c1-9-11-12-18(10-2)17-29-14-13-22(27)26-19-15-20(24(3,4)5)23(28)21(16-19)25(6,7)8/h15-16,18,28H,9-14,17H2,1-8H3,(H,26,27).
What are the key properties of N-(3,5-ditert-butyl-4-hydroxyphenyl)-3-(2-ethylhexoxy)propanamide?
N-(3,5-ditert-butyl-4-hydroxyphenyl)-3-(2-ethylhexoxy)propanamide has a molecular weight of 405.62 g/mol, XLogP of 6.55, 10 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,5-ditert-butyl-4-hydroxyphenyl)-3-(2-ethylhexoxy)propanamide is sourced from PubChem (CID 21446651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).