5-(2,5-dimethylphenoxy)-2,2-dimethyl-N-(4-phenoxyphenyl)pentanamide

C27H31NO3 — CID 54783509

IUPAC5-(2,5-dimethylphenoxy)-2,2-dimethyl-N-(4-phenoxyphenyl)pentanamide
SMILESCc1ccc(C)c(OCCCC(C)(C)C(=O)Nc2ccc(Oc3ccccc3)cc2)c1
InChIInChI=1S/C27H31NO3/c1-20-11-12-21(2)25(19-20)30-18-8-17-27(3,4)26(29)28-22-13-15-24(16-14-22)31-23-9-6-5-7-10-23/h5-7,9-16,19H,8,17-18H2,1-4H3,(H,28,29)
InChIKeyKXSSMMDMUJJCFW-UHFFFAOYSA-N
MW417.55 g/mol
LogP6.92
Rot. Bonds9

About 5-(2,5-dimethylphenoxy)-2,2-dimethyl-N-(4-phenoxyphenyl)pentanamide

5-(2,5-dimethylphenoxy)-2,2-dimethyl-N-(4-phenoxyphenyl)pentanamide (PubChem CID 54783509) has the molecular formula C27H31NO3 and a molecular weight of 417.55 g/mol. Its IUPAC name is 5-(2,5-dimethylphenoxy)-2,2-dimethyl-N-(4-phenoxyphenyl)pentanamide.

Molecular Properties

Compound Name5-(2,5-dimethylphenoxy)-2,2-dimethyl-N-(4-phenoxyphenyl)pentanamide
PubChem CID54783509
Molecular FormulaC27H31NO3
Molecular Weight417.55 g/mol
Exact Mass417.23
IUPAC Name5-(2,5-dimethylphenoxy)-2,2-dimethyl-N-(4-phenoxyphenyl)pentanamide
SMILESCc1ccc(C)c(OCCCC(C)(C)C(=O)Nc2ccc(Oc3ccccc3)cc2)c1
InChIInChI=1S/C27H31NO3/c1-20-11-12-21(2)25(19-20)30-18-8-17-27(3,4)26(29)28-22-13-15-24(16-14-22)31-23-9-6-5-7-10-23/h5-7,9-16,19H,8,17-18H2,1-4H3,(H,28,29)
InChIKeyKXSSMMDMUJJCFW-UHFFFAOYSA-N
XLogP6.92
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500417.55
LogP ≤ 56.92
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-methylphenyl)pentanamide
CID 54783593
N-(4-bromophenyl)-5-(2,5-dimethylphenoxy)-2,2-dimethylpentanamide
CID 54783495
5-(2,5-dimethylphenoxy)-2,2-dimethyl-N-(4-prop-2-enoxyphenyl)pentanamide
CID 54783933
2-[4-[[5-(2,5-dimethylphenoxy)-2,2-dimethylpentanoyl]amino]phenyl]acetic acid
CID 70410381
3-[4-[[5-(2,5-dimethylphenoxy)-2,2-dimethylpentanoyl]amino]phenyl]propanoic acid
CID 70409817
N-[4-[[5-(2,5-dimethylphenoxy)-2,2-dimethylpentanoyl]amino]-2-methylphenyl]benzamide
CID 54783799
N-(3-chlorophenyl)-5-(2,5-dimethylphenoxy)-2,2-dimethylpentanamide
CID 54783647
N-[(4-anilinophenyl)carbamothioyl]-5-(2,5-dimethylphenoxy)-2,2-dimethylpentanamide
CID 54784018
5-(2,5-dimethylphenoxy)-2,2-dimethyl-N-(3-prop-2-enoxyphenyl)pentanamide
CID 54783872
5-(2,5-dimethylphenoxy)-N-(3-fluorophenyl)-2,2-dimethylpentanamide
CID 54788669
5-(2,5-dimethylphenoxy)-2,2-dimethyl-N-[[4-(3-phenylpropoxy)phenyl]carbamothioyl]pentanamide
CID 54784326
N-[4-[benzyl(methyl)sulfamoyl]phenyl]-5-(2,5-dimethylphenoxy)-2,2-dimethylpentanamide
CID 54783633

Frequently Asked Questions

What is the IUPAC name of 5-(2,5-dimethylphenoxy)-2,2-dimethyl-N-(4-phenoxyphenyl)pentanamide?
The IUPAC name of 5-(2,5-dimethylphenoxy)-2,2-dimethyl-N-(4-phenoxyphenyl)pentanamide (CID 54783509) is 5-(2,5-dimethylphenoxy)-2,2-dimethyl-N-(4-phenoxyphenyl)pentanamide.
What is the SMILES notation for 5-(2,5-dimethylphenoxy)-2,2-dimethyl-N-(4-phenoxyphenyl)pentanamide?
The canonical SMILES for 5-(2,5-dimethylphenoxy)-2,2-dimethyl-N-(4-phenoxyphenyl)pentanamide is Cc1ccc(C)c(OCCCC(C)(C)C(=O)Nc2ccc(Oc3ccccc3)cc2)c1.
What is the InChIKey of 5-(2,5-dimethylphenoxy)-2,2-dimethyl-N-(4-phenoxyphenyl)pentanamide?
The InChIKey is KXSSMMDMUJJCFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H31NO3/c1-20-11-12-21(2)25(19-20)30-18-8-17-27(3,4)26(29)28-22-13-15-24(16-14-22)31-23-9-6-5-7-10-23/h5-7,9-16,19H,8,17-18H2,1-4H3,(H,28,29).
What are the key properties of 5-(2,5-dimethylphenoxy)-2,2-dimethyl-N-(4-phenoxyphenyl)pentanamide?
5-(2,5-dimethylphenoxy)-2,2-dimethyl-N-(4-phenoxyphenyl)pentanamide has a molecular weight of 417.55 g/mol, XLogP of 6.92, 9 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-(4-phenoxyphenyl)pentanamide is sourced from PubChem (CID 54783509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).