2,2,4-trimethyl-4-(4-propanoylphenoxy)pentanamide

C17H25NO3 — CID 123309344

IUPAC2,2,4-trimethyl-4-(4-propanoylphenoxy)pentanamide
SMILESCCC(=O)c1ccc(OC(C)(C)CC(C)(C)C(N)=O)cc1
InChIInChI=1S/C17H25NO3/c1-6-14(19)12-7-9-13(10-8-12)21-17(4,5)11-16(2,3)15(18)20/h7-10H,6,11H2,1-5H3,(H2,18,20)
InChIKeyBGINFMRHPKYGTR-UHFFFAOYSA-N
MW291.39 g/mol
LogP3.34
Rot. Bonds7

About 2,2,4-trimethyl-4-(4-propanoylphenoxy)pentanamide

2,2,4-trimethyl-4-(4-propanoylphenoxy)pentanamide (PubChem CID 123309344) has the molecular formula C17H25NO3 and a molecular weight of 291.39 g/mol. Its IUPAC name is 2,2,4-trimethyl-4-(4-propanoylphenoxy)pentanamide.

Molecular Properties

Compound Name2,2,4-trimethyl-4-(4-propanoylphenoxy)pentanamide
PubChem CID123309344
Molecular FormulaC17H25NO3
Molecular Weight291.39 g/mol
Exact Mass291.18
IUPAC Name2,2,4-trimethyl-4-(4-propanoylphenoxy)pentanamide
SMILESCCC(=O)c1ccc(OC(C)(C)CC(C)(C)C(N)=O)cc1
InChIInChI=1S/C17H25NO3/c1-6-14(19)12-7-9-13(10-8-12)21-17(4,5)11-16(2,3)15(18)20/h7-10H,6,11H2,1-5H3,(H2,18,20)
InChIKeyBGINFMRHPKYGTR-UHFFFAOYSA-N
XLogP3.34
TPSA69.39 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.39
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2,2-dimethylpropane;1-(4-methoxyphenyl)propan-1-one
CID 143304952
4-(4-hydroxy-2,4-dimethylpentan-2-yl)oxybenzoic acid
CID 143021723
1-[4-(2-methyl-4-piperazin-1-ylbutan-2-yl)oxyphenyl]propan-1-one
CID 139638679
2,2-difluoro-2-(4-propanoylphenoxy)acetohydrazide
CID 63575837
4-(1-amino-2-methylpropan-2-yl)oxybenzoic acid
CID 117053492
2,2,4-trimethyl-4-[3-(oxirane-2-carbonyl)phenoxy]pentanamide
CID 123626671
(4-propanoylphenyl) propanoate
CID 19170728
(4-propanoylphenyl) 2-methylpropanoate
CID 19170731
1-[4-[2-[(2-methylpropan-2-yl)oxy]ethoxy]phenyl]propan-1-one
CID 112687937
methyl 4-(2-methylbutan-2-yloxy)benzoate
CID 71046237
ethyl 3-[4-[(2-methylpropan-2-yl)oxy]phenyl]-3-oxopropanoate
CID 22308842
1-(4-aminophenyl)propan-1-one
CID 6270

Frequently Asked Questions

What is the IUPAC name of 2,2,4-trimethyl-4-(4-propanoylphenoxy)pentanamide?
The IUPAC name of 2,2,4-trimethyl-4-(4-propanoylphenoxy)pentanamide (CID 123309344) is 2,2,4-trimethyl-4-(4-propanoylphenoxy)pentanamide.
What is the SMILES notation for 2,2,4-trimethyl-4-(4-propanoylphenoxy)pentanamide?
The canonical SMILES for 2,2,4-trimethyl-4-(4-propanoylphenoxy)pentanamide is CCC(=O)c1ccc(OC(C)(C)CC(C)(C)C(N)=O)cc1.
What is the InChIKey of 2,2,4-trimethyl-4-(4-propanoylphenoxy)pentanamide?
The InChIKey is BGINFMRHPKYGTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25NO3/c1-6-14(19)12-7-9-13(10-8-12)21-17(4,5)11-16(2,3)15(18)20/h7-10H,6,11H2,1-5H3,(H2,18,20).
What are the key properties of 2,2,4-trimethyl-4-(4-propanoylphenoxy)pentanamide?
2,2,4-trimethyl-4-(4-propanoylphenoxy)pentanamide has a molecular weight of 291.39 g/mol, XLogP of 3.34, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,4-trimethyl-4-(4-propanoylphenoxy)pentanamide is sourced from PubChem (CID 123309344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).