5-(2,5-dimethylphenoxy)-2,2-dimethyl-N-[4-methyl-3-(propanoylamino)phenyl]pentanamide

C25H34N2O3 — CID 54783728

IUPAC5-(2,5-dimethylphenoxy)-2,2-dimethyl-N-[4-methyl-3-(propanoylamino)phenyl]pentanamide
SMILESCCC(=O)Nc1cc(NC(=O)C(C)(C)CCCOc2cc(C)ccc2C)ccc1C
InChIInChI=1S/C25H34N2O3/c1-7-23(28)27-21-16-20(12-11-18(21)3)26-24(29)25(5,6)13-8-14-30-22-15-17(2)9-10-19(22)4/h9-12,15-16H,7-8,13-14H2,1-6H3,(H,26,29)(H,27,28)
InChIKeyOUBOZPKRFRXURB-UHFFFAOYSA-N
MW410.56 g/mol
LogP5.78
Rot. Bonds9

About 5-(2,5-dimethylphenoxy)-2,2-dimethyl-N-[4-methyl-3-(propanoylamino)phenyl]pentanamide

5-(2,5-dimethylphenoxy)-2,2-dimethyl-N-[4-methyl-3-(propanoylamino)phenyl]pentanamide (PubChem CID 54783728) has the molecular formula C25H34N2O3 and a molecular weight of 410.56 g/mol. Its IUPAC name is 5-(2,5-dimethylphenoxy)-2,2-dimethyl-N-[4-methyl-3-(propanoylamino)phenyl]pentanamide.

Molecular Properties

Compound Name5-(2,5-dimethylphenoxy)-2,2-dimethyl-N-[4-methyl-3-(propanoylamino)phenyl]pentanamide
PubChem CID54783728
Molecular FormulaC25H34N2O3
Molecular Weight410.56 g/mol
Exact Mass410.26
IUPAC Name5-(2,5-dimethylphenoxy)-2,2-dimethyl-N-[4-methyl-3-(propanoylamino)phenyl]pentanamide
SMILESCCC(=O)Nc1cc(NC(=O)C(C)(C)CCCOc2cc(C)ccc2C)ccc1C
InChIInChI=1S/C25H34N2O3/c1-7-23(28)27-21-16-20(12-11-18(21)3)26-24(29)25(5,6)13-8-14-30-22-15-17(2)9-10-19(22)4/h9-12,15-16H,7-8,13-14H2,1-6H3,(H,26,29)(H,27,28)
InChIKeyOUBOZPKRFRXURB-UHFFFAOYSA-N
XLogP5.78
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500410.56
LogP ≤ 55.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

5-(2,5-dimethylphenoxy)-2,2-dimethyl-N-(4-methylphenyl)pentanamide
CID 54783593
N-(4-bromophenyl)-5-(2,5-dimethylphenoxy)-2,2-dimethylpentanamide
CID 54783495
N-(5-amino-2-methylphenyl)-5-(2,5-dimethylphenoxy)-2,2-dimethylpentanamide
CID 54855799
N-(3-chlorophenyl)-5-(2,5-dimethylphenoxy)-2,2-dimethylpentanamide
CID 54783647
(2E)-2-[[4-[[5-(2,5-dimethylphenoxy)-2,2-dimethylpentanoyl]amino]-2-methylphenyl]methylidene]butanoic acid
CID 70410052
2-[4-[[5-(2,5-dimethylphenoxy)-2,2-dimethylpentanoyl]amino]phenyl]acetic acid
CID 70410381
5-(2,5-dimethylphenoxy)-N-(3-fluorophenyl)-2,2-dimethylpentanamide
CID 54788669
3-[4-[[5-(2,5-dimethylphenoxy)-2,2-dimethylpentanoyl]amino]-2-ethylphenyl]propanoic acid
CID 70409893
N-[4-[[5-(2,5-dimethylphenoxy)-2,2-dimethylpentanoyl]amino]-2-methylphenyl]benzamide
CID 54783799
5-(2,5-dimethylphenoxy)-2,2-dimethyl-N-(4-phenoxyphenyl)pentanamide
CID 54783509
5-(2,5-dimethylphenoxy)-N-ethyl-2,2-dimethylpentanamide
CID 54783886
5-(2,5-dimethylphenoxy)-2,2-dimethyl-N-(4-prop-2-enoxyphenyl)pentanamide
CID 54783933

Frequently Asked Questions

What is the IUPAC name of 5-(2,5-dimethylphenoxy)-2,2-dimethyl-N-[4-methyl-3-(propanoylamino)phenyl]pentanamide?
The IUPAC name of 5-(2,5-dimethylphenoxy)-2,2-dimethyl-N-[4-methyl-3-(propanoylamino)phenyl]pentanamide (CID 54783728) is 5-(2,5-dimethylphenoxy)-2,2-dimethyl-N-[4-methyl-3-(propanoylamino)phenyl]pentanamide.
What is the SMILES notation for 5-(2,5-dimethylphenoxy)-2,2-dimethyl-N-[4-methyl-3-(propanoylamino)phenyl]pentanamide?
The canonical SMILES for 5-(2,5-dimethylphenoxy)-2,2-dimethyl-N-[4-methyl-3-(propanoylamino)phenyl]pentanamide is CCC(=O)Nc1cc(NC(=O)C(C)(C)CCCOc2cc(C)ccc2C)ccc1C.
What is the InChIKey of 5-(2,5-dimethylphenoxy)-2,2-dimethyl-N-[4-methyl-3-(propanoylamino)phenyl]pentanamide?
The InChIKey is OUBOZPKRFRXURB-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H34N2O3/c1-7-23(28)27-21-16-20(12-11-18(21)3)26-24(29)25(5,6)13-8-14-30-22-15-17(2)9-10-19(22)4/h9-12,15-16H,7-8,13-14H2,1-6H3,(H,26,29)(H,27,28).
What are the key properties of 5-(2,5-dimethylphenoxy)-2,2-dimethyl-N-[4-methyl-3-(propanoylamino)phenyl]pentanamide?
5-(2,5-dimethylphenoxy)-2,2-dimethyl-N-[4-methyl-3-(propanoylamino)phenyl]pentanamide has a molecular weight of 410.56 g/mol, XLogP of 5.78, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,5-dimethylphenoxy)-2,2-dimethyl-N-[4-methyl-3-(propanoylamino)phenyl]pentanamide is sourced from PubChem (CID 54783728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).