5-(2,5-dimethylphenoxy)-2,2-dimethyl-N-propylpentanamide

C18H29NO2 — CID 54783506

IUPAC5-(2,5-dimethylphenoxy)-2,2-dimethyl-N-propylpentanamide
SMILESCCCNC(=O)C(C)(C)CCCOc1cc(C)ccc1C
InChIInChI=1S/C18H29NO2/c1-6-11-19-17(20)18(4,5)10-7-12-21-16-13-14(2)8-9-15(16)3/h8-9,13H,6-7,10-12H2,1-5H3,(H,19,20)
InChIKeyPTTFLUQQFCSAOH-UHFFFAOYSA-N
MW291.44 g/mol
LogP4.01
Rot. Bonds8

About 5-(2,5-dimethylphenoxy)-2,2-dimethyl-N-propylpentanamide

5-(2,5-dimethylphenoxy)-2,2-dimethyl-N-propylpentanamide (PubChem CID 54783506) has the molecular formula C18H29NO2 and a molecular weight of 291.44 g/mol. Its IUPAC name is 5-(2,5-dimethylphenoxy)-2,2-dimethyl-N-propylpentanamide.

Molecular Properties

Compound Name5-(2,5-dimethylphenoxy)-2,2-dimethyl-N-propylpentanamide
PubChem CID54783506
Molecular FormulaC18H29NO2
Molecular Weight291.44 g/mol
Exact Mass291.22
IUPAC Name5-(2,5-dimethylphenoxy)-2,2-dimethyl-N-propylpentanamide
SMILESCCCNC(=O)C(C)(C)CCCOc1cc(C)ccc1C
InChIInChI=1S/C18H29NO2/c1-6-11-19-17(20)18(4,5)10-7-12-21-16-13-14(2)8-9-15(16)3/h8-9,13H,6-7,10-12H2,1-5H3,(H,19,20)
InChIKeyPTTFLUQQFCSAOH-UHFFFAOYSA-N
XLogP4.01
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.44
LogP ≤ 54.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

5-(2,5-dimethylphenoxy)-N-ethyl-2,2-dimethylpentanamide
CID 54783886
5-(2,5-dimethylphenoxy)-N-(2-methoxyethyl)-2,2-dimethylpentanamide
CID 54783531
N-[2-(diethylamino)ethyl]-5-(2,5-dimethylphenoxy)-2,2-dimethylpentanamide
CID 54783817
5-(2,5-dimethylphenoxy)-2,2-dimethyl-N-(4-methylphenyl)pentanamide
CID 54783593
5-(2,5-dimethylphenoxy)-N'-hexanoyl-2,2-dimethylpentanehydrazide
CID 54784103
5-(2,5-dimethylphenoxy)-N-(furan-2-ylmethyl)-2,2-dimethylpentanamide
CID 54783499
N'-[5-(2,5-dimethylphenoxy)-2,2-dimethylpentanoyl]-4-methylbenzohydrazide
CID 54784126
5-(2,5-dimethylphenoxy)-N-[2-(4-hydroxy-3-methylphenyl)-2-oxoethyl]-2,2-dimethylpentanamide
CID 158479808
sodium;5-(2,5-dimethylphenoxy)-2,2-dimethylpentanoic acid;hydride
CID 173009199
N-(4-bromophenyl)-5-(2,5-dimethylphenoxy)-2,2-dimethylpentanamide
CID 54783495
N-(dimethylcarbamothioyl)-5-(2,5-dimethylphenoxy)-2,2-dimethylpentanamide
CID 54784218
N-(5-amino-2-methylphenyl)-5-(2,5-dimethylphenoxy)-2,2-dimethylpentanamide
CID 54855799

Frequently Asked Questions

What is the IUPAC name of 5-(2,5-dimethylphenoxy)-2,2-dimethyl-N-propylpentanamide?
The IUPAC name of 5-(2,5-dimethylphenoxy)-2,2-dimethyl-N-propylpentanamide (CID 54783506) is 5-(2,5-dimethylphenoxy)-2,2-dimethyl-N-propylpentanamide.
What is the SMILES notation for 5-(2,5-dimethylphenoxy)-2,2-dimethyl-N-propylpentanamide?
The canonical SMILES for 5-(2,5-dimethylphenoxy)-2,2-dimethyl-N-propylpentanamide is CCCNC(=O)C(C)(C)CCCOc1cc(C)ccc1C.
What is the InChIKey of 5-(2,5-dimethylphenoxy)-2,2-dimethyl-N-propylpentanamide?
The InChIKey is PTTFLUQQFCSAOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29NO2/c1-6-11-19-17(20)18(4,5)10-7-12-21-16-13-14(2)8-9-15(16)3/h8-9,13H,6-7,10-12H2,1-5H3,(H,19,20).
What are the key properties of 5-(2,5-dimethylphenoxy)-2,2-dimethyl-N-propylpentanamide?
5-(2,5-dimethylphenoxy)-2,2-dimethyl-N-propylpentanamide has a molecular weight of 291.44 g/mol, XLogP of 4.01, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,5-dimethylphenoxy)-2,2-dimethyl-N-propylpentanamide is sourced from PubChem (CID 54783506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).