4-(2-bromo-4-methylphenoxy)-N-[2,6-di(propan-2-yl)phenyl]butanamide

C23H30BrNO2 — CID 19201602

IUPAC4-(2-bromo-4-methylphenoxy)-N-[2,6-di(propan-2-yl)phenyl]butanamide
SMILESCc1ccc(OCCCC(=O)Nc2c(C(C)C)cccc2C(C)C)c(Br)c1
InChIInChI=1S/C23H30BrNO2/c1-15(2)18-8-6-9-19(16(3)4)23(18)25-22(26)10-7-13-27-21-12-11-17(5)14-20(21)24/h6,8-9,11-12,14-16H,7,10,13H2,1-5H3,(H,25,26)
InChIKeyVSTCLDNEPZKUQF-UHFFFAOYSA-N
MW432.40 g/mol
LogP6.80
Rot. Bonds8

About 4-(2-bromo-4-methylphenoxy)-N-[2,6-di(propan-2-yl)phenyl]butanamide

4-(2-bromo-4-methylphenoxy)-N-[2,6-di(propan-2-yl)phenyl]butanamide (PubChem CID 19201602) has the molecular formula C23H30BrNO2 and a molecular weight of 432.40 g/mol. Its IUPAC name is 4-(2-bromo-4-methylphenoxy)-N-[2,6-di(propan-2-yl)phenyl]butanamide.

Molecular Properties

Compound Name4-(2-bromo-4-methylphenoxy)-N-[2,6-di(propan-2-yl)phenyl]butanamide
PubChem CID19201602
Molecular FormulaC23H30BrNO2
Molecular Weight432.40 g/mol
Exact Mass431.15
IUPAC Name4-(2-bromo-4-methylphenoxy)-N-[2,6-di(propan-2-yl)phenyl]butanamide
SMILESCc1ccc(OCCCC(=O)Nc2c(C(C)C)cccc2C(C)C)c(Br)c1
InChIInChI=1S/C23H30BrNO2/c1-15(2)18-8-6-9-19(16(3)4)23(18)25-22(26)10-7-13-27-21-12-11-17(5)14-20(21)24/h6,8-9,11-12,14-16H,7,10,13H2,1-5H3,(H,25,26)
InChIKeyVSTCLDNEPZKUQF-UHFFFAOYSA-N
XLogP6.80
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500432.40
LogP ≤ 56.80
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

4-(2-bromo-4-ethylphenoxy)-N-[2,6-di(propan-2-yl)phenyl]butanamide
CID 19201600
4-(2-bromo-4-propan-2-ylphenoxy)-N-(2-methyl-6-propan-2-ylphenyl)butanamide
CID 19206202
4-(2-bromo-4-methylphenoxy)-N-(3-methoxyphenyl)butanamide
CID 19201641
4-(2-bromo-4-methylphenoxy)-N-(2-methoxy-5-methylphenyl)butanamide
CID 19202702
4-(2-bromo-4-methylphenoxy)-N-(4-iodophenyl)butanamide
CID 19202098
4-(2-bromo-4-methylphenoxy)-N-(3,4-dimethoxyphenyl)butanamide
CID 19201751
4-(2-bromo-4-methylphenoxy)-N-[4-(diethylamino)phenyl]butanamide
CID 19202635
4-(4-acetylphenoxy)-N-[2,6-di(propan-2-yl)phenyl]butanamide
CID 112762986
(2-bromo-4-methylphenyl) 4-(2-bromo-4-propan-2-ylphenoxy)butanoate
CID 19206397
N'-[2,6-di(propan-2-yl)phenyl]-N-(2-methoxy-5-methylphenyl)propanediamide
CID 108955809
4-(2-bromo-4-methylphenoxy)-N-pentylbutanamide
CID 19201308
N-(2-bromophenyl)-4-(2-bromo-4-propan-2-ylphenoxy)butanamide
CID 19206365

Frequently Asked Questions

What is the IUPAC name of 4-(2-bromo-4-methylphenoxy)-N-[2,6-di(propan-2-yl)phenyl]butanamide?
The IUPAC name of 4-(2-bromo-4-methylphenoxy)-N-[2,6-di(propan-2-yl)phenyl]butanamide (CID 19201602) is 4-(2-bromo-4-methylphenoxy)-N-[2,6-di(propan-2-yl)phenyl]butanamide.
What is the SMILES notation for 4-(2-bromo-4-methylphenoxy)-N-[2,6-di(propan-2-yl)phenyl]butanamide?
The canonical SMILES for 4-(2-bromo-4-methylphenoxy)-N-[2,6-di(propan-2-yl)phenyl]butanamide is Cc1ccc(OCCCC(=O)Nc2c(C(C)C)cccc2C(C)C)c(Br)c1.
What is the InChIKey of 4-(2-bromo-4-methylphenoxy)-N-[2,6-di(propan-2-yl)phenyl]butanamide?
The InChIKey is VSTCLDNEPZKUQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30BrNO2/c1-15(2)18-8-6-9-19(16(3)4)23(18)25-22(26)10-7-13-27-21-12-11-17(5)14-20(21)24/h6,8-9,11-12,14-16H,7,10,13H2,1-5H3,(H,25,26).
What are the key properties of 4-(2-bromo-4-methylphenoxy)-N-[2,6-di(propan-2-yl)phenyl]butanamide?
4-(2-bromo-4-methylphenoxy)-N-[2,6-di(propan-2-yl)phenyl]butanamide has a molecular weight of 432.40 g/mol, XLogP of 6.80, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-bromo-4-methylphenoxy)-N-[2,6-di(propan-2-yl)phenyl]butanamide is sourced from PubChem (CID 19201602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).