N-[5-[(E)-2-(4,4-dimethyl-5H-1,3-oxazol-2-yl)ethenyl]-2-methoxyphenyl]-5-(2,5-dimethylphenoxy)-2,2-dimethylpentanamide

C29H38N2O4 — CID 21243152

IUPACN-[5-[(E)-2-(4,4-dimethyl-5H-1,3-oxazol-2-yl)ethenyl]-2-methoxyphenyl]-5-(2,5-dimethylphenoxy)-2,2-dimethylpentanamide
SMILESCOc1ccc(/C=C/C2=NC(C)(C)CO2)cc1NC(=O)C(C)(C)CCCOc1cc(C)ccc1C
InChIInChI=1S/C29H38N2O4/c1-20-9-10-21(2)25(17-20)34-16-8-15-28(3,4)27(32)30-23-18-22(11-13-24(23)33-7)12-14-26-31-29(5,6)19-35-26/h9-14,17-18H,8,15-16,19H2,1-7H3,(H,30,32)/b14-12+
InChIKeyVEVQZGQESLBCMR-WYMLVPIESA-N
MW478.63 g/mol
LogP6.36
Rot. Bonds10

About N-[5-[(E)-2-(4,4-dimethyl-5H-1,3-oxazol-2-yl)ethenyl]-2-methoxyphenyl]-5-(2,5-dimethylphenoxy)-2,2-dimethylpentanamide

N-[5-[(E)-2-(4,4-dimethyl-5H-1,3-oxazol-2-yl)ethenyl]-2-methoxyphenyl]-5-(2,5-dimethylphenoxy)-2,2-dimethylpentanamide (PubChem CID 21243152) has the molecular formula C29H38N2O4 and a molecular weight of 478.63 g/mol. Its IUPAC name is N-[5-[(E)-2-(4,4-dimethyl-5H-1,3-oxazol-2-yl)ethenyl]-2-methoxyphenyl]-5-(2,5-dimethylphenoxy)-2,2-dimethylpentanamide.

Molecular Properties

Compound NameN-[5-[(E)-2-(4,4-dimethyl-5H-1,3-oxazol-2-yl)ethenyl]-2-methoxyphenyl]-5-(2,5-dimethylphenoxy)-2,2-dimethylpentanamide
PubChem CID21243152
Molecular FormulaC29H38N2O4
Molecular Weight478.63 g/mol
Exact Mass478.28
IUPAC NameN-[5-[(E)-2-(4,4-dimethyl-5H-1,3-oxazol-2-yl)ethenyl]-2-methoxyphenyl]-5-(2,5-dimethylphenoxy)-2,2-dimethylpentanamide
SMILESCOc1ccc(/C=C/C2=NC(C)(C)CO2)cc1NC(=O)C(C)(C)CCCOc1cc(C)ccc1C
InChIInChI=1S/C29H38N2O4/c1-20-9-10-21(2)25(17-20)34-16-8-15-28(3,4)27(32)30-23-18-22(11-13-24(23)33-7)12-14-26-31-29(5,6)19-35-26/h9-14,17-18H,8,15-16,19H2,1-7H3,(H,30,32)/b14-12+
InChIKeyVEVQZGQESLBCMR-WYMLVPIESA-N
XLogP6.36
TPSA69.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500478.63
LogP ≤ 56.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-[5-[2-(4,4-dimethyl-5H-1,3-oxazol-2-yl)ethenyl]-2-methoxyphenyl]-5-(2,5-dimethylphenoxy)-2,2-dimethylpentanamide
CID 54388341
N-[5-[(4,4-dimethyl-5H-1,3-oxazol-2-yl)methyl]-2-methylphenyl]-5-(2,5-dimethylphenoxy)-2,2-dimethylpentanamide
CID 14407632
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
5-(2,5-dimethylphenoxy)-N-(2-methoxyethyl)-2,2-dimethylpentanamide
CID 54783531
5-(2,5-dimethylphenoxy)-2,2-dimethyl-N-(4-prop-2-enoxyphenyl)pentanamide
CID 54783933
5-(2,5-dimethylphenoxy)-N-ethyl-2,2-dimethylpentanamide
CID 54783886
N-(4-bromophenyl)-5-(2,5-dimethylphenoxy)-2,2-dimethylpentanamide
CID 54783495
5-(2,5-dimethylphenoxy)-2,2-dimethyl-N-[2-(3-phenylpropoxy)phenyl]pentanamide
CID 54783951
2-[[5-(2,5-dimethylphenoxy)-2,2-dimethylpentanoyl]amino]-4-nitrobenzoic acid
CID 141462015
5-(2,5-dimethylphenoxy)-2,2-dimethyl-N-propylpentanamide
CID 54783506
N-[(4-acetamidophenyl)carbamothioyl]-5-(2,5-dimethylphenoxy)-2,2-dimethylpentanamide
CID 54784140

Frequently Asked Questions

What is the IUPAC name of N-[5-[(E)-2-(4,4-dimethyl-5H-1,3-oxazol-2-yl)ethenyl]-2-methoxyphenyl]-5-(2,5-dimethylphenoxy)-2,2-dimethylpentanamide?
The IUPAC name of N-[5-[(E)-2-(4,4-dimethyl-5H-1,3-oxazol-2-yl)ethenyl]-2-methoxyphenyl]-5-(2,5-dimethylphenoxy)-2,2-dimethylpentanamide (CID 21243152) is N-[5-[(E)-2-(4,4-dimethyl-5H-1,3-oxazol-2-yl)ethenyl]-2-methoxyphenyl]-5-(2,5-dimethylphenoxy)-2,2-dimethylpentanamide.
What is the SMILES notation for N-[5-[(E)-2-(4,4-dimethyl-5H-1,3-oxazol-2-yl)ethenyl]-2-methoxyphenyl]-5-(2,5-dimethylphenoxy)-2,2-dimethylpentanamide?
The canonical SMILES for N-[5-[(E)-2-(4,4-dimethyl-5H-1,3-oxazol-2-yl)ethenyl]-2-methoxyphenyl]-5-(2,5-dimethylphenoxy)-2,2-dimethylpentanamide is COc1ccc(/C=C/C2=NC(C)(C)CO2)cc1NC(=O)C(C)(C)CCCOc1cc(C)ccc1C.
What is the InChIKey of N-[5-[(E)-2-(4,4-dimethyl-5H-1,3-oxazol-2-yl)ethenyl]-2-methoxyphenyl]-5-(2,5-dimethylphenoxy)-2,2-dimethylpentanamide?
The InChIKey is VEVQZGQESLBCMR-WYMLVPIESA-N. The full InChI is InChI=1S/C29H38N2O4/c1-20-9-10-21(2)25(17-20)34-16-8-15-28(3,4)27(32)30-23-18-22(11-13-24(23)33-7)12-14-26-31-29(5,6)19-35-26/h9-14,17-18H,8,15-16,19H2,1-7H3,(H,30,32)/b14-12+.
What are the key properties of N-[5-[(E)-2-(4,4-dimethyl-5H-1,3-oxazol-2-yl)ethenyl]-2-methoxyphenyl]-5-(2,5-dimethylphenoxy)-2,2-dimethylpentanamide?
N-[5-[(E)-2-(4,4-dimethyl-5H-1,3-oxazol-2-yl)ethenyl]-2-methoxyphenyl]-5-(2,5-dimethylphenoxy)-2,2-dimethylpentanamide has a molecular weight of 478.63 g/mol, XLogP of 6.36, 10 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[(E)-2-(4,4-dimethyl-5H-1,3-oxazol-2-yl)ethenyl]-2-methoxyphenyl]-5-(2,5-dimethylphenoxy)-2,2-dimethylpentanamide is sourced from PubChem (CID 21243152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).