5-(2,5-dimethylphenoxy)-2,2-dimethyl-N-[2-(3-phenylpropoxy)phenyl]pentanamide

C30H37NO3 — CID 54783951

IUPAC5-(2,5-dimethylphenoxy)-2,2-dimethyl-N-[2-(3-phenylpropoxy)phenyl]pentanamide
SMILESCc1ccc(C)c(OCCCC(C)(C)C(=O)Nc2ccccc2OCCCc2ccccc2)c1
InChIInChI=1S/C30H37NO3/c1-23-17-18-24(2)28(22-23)34-21-11-19-30(3,4)29(32)31-26-15-8-9-16-27(26)33-20-10-14-25-12-6-5-7-13-25/h5-9,12-13,15-18,22H,10-11,14,19-21H2,1-4H3,(H,31,32)
InChIKeyIDPPETXBWQOPJK-UHFFFAOYSA-N
MW459.63 g/mol
LogP7.14
Rot. Bonds12

About 5-(2,5-dimethylphenoxy)-2,2-dimethyl-N-[2-(3-phenylpropoxy)phenyl]pentanamide

5-(2,5-dimethylphenoxy)-2,2-dimethyl-N-[2-(3-phenylpropoxy)phenyl]pentanamide (PubChem CID 54783951) has the molecular formula C30H37NO3 and a molecular weight of 459.63 g/mol. Its IUPAC name is 5-(2,5-dimethylphenoxy)-2,2-dimethyl-N-[2-(3-phenylpropoxy)phenyl]pentanamide.

Molecular Properties

Compound Name5-(2,5-dimethylphenoxy)-2,2-dimethyl-N-[2-(3-phenylpropoxy)phenyl]pentanamide
PubChem CID54783951
Molecular FormulaC30H37NO3
Molecular Weight459.63 g/mol
Exact Mass459.28
IUPAC Name5-(2,5-dimethylphenoxy)-2,2-dimethyl-N-[2-(3-phenylpropoxy)phenyl]pentanamide
SMILESCc1ccc(C)c(OCCCC(C)(C)C(=O)Nc2ccccc2OCCCc2ccccc2)c1
InChIInChI=1S/C30H37NO3/c1-23-17-18-24(2)28(22-23)34-21-11-19-30(3,4)29(32)31-26-15-8-9-16-27(26)33-20-10-14-25-12-6-5-7-13-25/h5-9,12-13,15-18,22H,10-11,14,19-21H2,1-4H3,(H,31,32)
InChIKeyIDPPETXBWQOPJK-UHFFFAOYSA-N
XLogP7.14
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds12
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500459.63
LogP ≤ 57.14
H-Bond Donors ≤ 51
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-(3-phenylpropoxy)phenyl]carbamothioyl]pentanamide
CID 54784326
3-[4-[[5-(2,5-dimethylphenoxy)-2,2-dimethylpentanoyl]amino]phenyl]propanoic acid
CID 70409817
5-(2,5-dimethylphenoxy)-2,2-dimethyl-N-(4-methylphenyl)pentanamide
CID 54783593
N-(5-amino-2-methylphenyl)-5-(2,5-dimethylphenoxy)-2,2-dimethylpentanamide
CID 54855799
N-(2,5-dimethylphenyl)-2-[2-(3-phenylpropoxy)anilino]acetamide
CID 54827070
5-(2,5-dimethylphenoxy)-2,2-dimethyl-N-(4-phenoxyphenyl)pentanamide
CID 54783509
2-[4-[[5-(2,5-dimethylphenoxy)-2,2-dimethylpentanoyl]amino]phenyl]acetic acid
CID 70410381
N-benzyl-3-[[5-(2,5-dimethylphenoxy)-2,2-dimethylpentanoyl]amino]-N-methylbenzamide
CID 54783734
N-[4-[[5-(2,5-dimethylphenoxy)-2,2-dimethylpentanoyl]amino]-2-methylphenyl]benzamide
CID 54783799
N-[2-(2,4-dimethylphenoxy)ethyl]-2-(3-phenylpropoxy)aniline
CID 54801441
N-(3-chlorophenyl)-5-(2,5-dimethylphenoxy)-2,2-dimethylpentanamide
CID 54783647
5-(2,5-dimethylphenoxy)-N-ethyl-2,2-dimethylpentanamide
CID 54783886

Frequently Asked Questions

What is the IUPAC name of 5-(2,5-dimethylphenoxy)-2,2-dimethyl-N-[2-(3-phenylpropoxy)phenyl]pentanamide?
The IUPAC name of 5-(2,5-dimethylphenoxy)-2,2-dimethyl-N-[2-(3-phenylpropoxy)phenyl]pentanamide (CID 54783951) is 5-(2,5-dimethylphenoxy)-2,2-dimethyl-N-[2-(3-phenylpropoxy)phenyl]pentanamide.
What is the SMILES notation for 5-(2,5-dimethylphenoxy)-2,2-dimethyl-N-[2-(3-phenylpropoxy)phenyl]pentanamide?
The canonical SMILES for 5-(2,5-dimethylphenoxy)-2,2-dimethyl-N-[2-(3-phenylpropoxy)phenyl]pentanamide is Cc1ccc(C)c(OCCCC(C)(C)C(=O)Nc2ccccc2OCCCc2ccccc2)c1.
What is the InChIKey of 5-(2,5-dimethylphenoxy)-2,2-dimethyl-N-[2-(3-phenylpropoxy)phenyl]pentanamide?
The InChIKey is IDPPETXBWQOPJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H37NO3/c1-23-17-18-24(2)28(22-23)34-21-11-19-30(3,4)29(32)31-26-15-8-9-16-27(26)33-20-10-14-25-12-6-5-7-13-25/h5-9,12-13,15-18,22H,10-11,14,19-21H2,1-4H3,(H,31,32).
What are the key properties of 5-(2,5-dimethylphenoxy)-2,2-dimethyl-N-[2-(3-phenylpropoxy)phenyl]pentanamide?
5-(2,5-dimethylphenoxy)-2,2-dimethyl-N-[2-(3-phenylpropoxy)phenyl]pentanamide has a molecular weight of 459.63 g/mol, XLogP of 7.14, 12 rotatable bonds, 1 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-[2-(3-phenylpropoxy)phenyl]pentanamide is sourced from PubChem (CID 54783951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).