5-bromo-2-butoxy-N-[[3-methoxy-4-(3-methylbutoxy)phenyl]methyl]benzamide

C24H32BrNO4 — CID 54776790

IUPAC5-bromo-2-butoxy-N-[[3-methoxy-4-(3-methylbutoxy)phenyl]methyl]benzamide
SMILESCCCCOc1ccc(Br)cc1C(=O)NCc1ccc(OCCC(C)C)c(OC)c1
InChIInChI=1S/C24H32BrNO4/c1-5-6-12-29-21-10-8-19(25)15-20(21)24(27)26-16-18-7-9-22(23(14-18)28-4)30-13-11-17(2)3/h7-10,14-15,17H,5-6,11-13,16H2,1-4H3,(H,26,27)
InChIKeyVDTXNOSMOZNLPL-UHFFFAOYSA-N
MW478.43 g/mol
LogP5.99
Rot. Bonds12

About 5-bromo-2-butoxy-N-[[3-methoxy-4-(3-methylbutoxy)phenyl]methyl]benzamide

5-bromo-2-butoxy-N-[[3-methoxy-4-(3-methylbutoxy)phenyl]methyl]benzamide (PubChem CID 54776790) has the molecular formula C24H32BrNO4 and a molecular weight of 478.43 g/mol. Its IUPAC name is 5-bromo-2-butoxy-N-[[3-methoxy-4-(3-methylbutoxy)phenyl]methyl]benzamide.

Molecular Properties

Compound Name5-bromo-2-butoxy-N-[[3-methoxy-4-(3-methylbutoxy)phenyl]methyl]benzamide
PubChem CID54776790
Molecular FormulaC24H32BrNO4
Molecular Weight478.43 g/mol
Exact Mass477.15
IUPAC Name5-bromo-2-butoxy-N-[[3-methoxy-4-(3-methylbutoxy)phenyl]methyl]benzamide
SMILESCCCCOc1ccc(Br)cc1C(=O)NCc1ccc(OCCC(C)C)c(OC)c1
InChIInChI=1S/C24H32BrNO4/c1-5-6-12-29-21-10-8-19(25)15-20(21)24(27)26-16-18-7-9-22(23(14-18)28-4)30-13-11-17(2)3/h7-10,14-15,17H,5-6,11-13,16H2,1-4H3,(H,26,27)
InChIKeyVDTXNOSMOZNLPL-UHFFFAOYSA-N
XLogP5.99
TPSA56.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds12
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500478.43
LogP ≤ 55.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

5-bromo-2-butoxy-N-[(4-methoxyphenyl)methyl]benzamide
CID 17230348
5-bromo-N-[(4-butoxy-3-methoxyphenyl)methylcarbamothioyl]-2-hexoxybenzamide
CID 46762654
N-[(4-butoxy-3-methoxyphenyl)methyl]-2-hydroxybenzamide
CID 39971450
N-[(4-butoxy-3-methoxyphenyl)methyl]-2,4-dimethoxybenzamide
CID 39971385
2-bromo-N-[(4-butoxy-3-methoxyphenyl)methyl]acetamide
CID 112547109
5-bromo-N-(butylcarbamothioyl)-2-(3-methylbutoxy)benzamide
CID 17143050
N-[(4-butoxy-3-methoxyphenyl)methyl]-2-methoxy-5-nitrobenzamide
CID 39971109
N-[[3-methoxy-4-(3-methylbutoxy)phenyl]methyl]-2-phenylacetamide
CID 54776536
5-bromo-N-[3-[(5-bromo-2-butoxybenzoyl)amino]propyl]-2-butoxybenzamide
CID 17350650
N-[[3-methoxy-4-(3-methylbutoxy)phenyl]methyl]-3-propoxybenzamide
CID 54776757
5-bromo-2-ethoxy-N-[(4-methoxyphenyl)methyl]benzamide
CID 17230351
2-amino-N-[(4-butoxy-3-methoxyphenyl)methyl]propanamide;hydrochloride
CID 119284589

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-butoxy-N-[[3-methoxy-4-(3-methylbutoxy)phenyl]methyl]benzamide?
The IUPAC name of 5-bromo-2-butoxy-N-[[3-methoxy-4-(3-methylbutoxy)phenyl]methyl]benzamide (CID 54776790) is 5-bromo-2-butoxy-N-[[3-methoxy-4-(3-methylbutoxy)phenyl]methyl]benzamide.
What is the SMILES notation for 5-bromo-2-butoxy-N-[[3-methoxy-4-(3-methylbutoxy)phenyl]methyl]benzamide?
The canonical SMILES for 5-bromo-2-butoxy-N-[[3-methoxy-4-(3-methylbutoxy)phenyl]methyl]benzamide is CCCCOc1ccc(Br)cc1C(=O)NCc1ccc(OCCC(C)C)c(OC)c1.
What is the InChIKey of 5-bromo-2-butoxy-N-[[3-methoxy-4-(3-methylbutoxy)phenyl]methyl]benzamide?
The InChIKey is VDTXNOSMOZNLPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H32BrNO4/c1-5-6-12-29-21-10-8-19(25)15-20(21)24(27)26-16-18-7-9-22(23(14-18)28-4)30-13-11-17(2)3/h7-10,14-15,17H,5-6,11-13,16H2,1-4H3,(H,26,27).
What are the key properties of 5-bromo-2-butoxy-N-[[3-methoxy-4-(3-methylbutoxy)phenyl]methyl]benzamide?
5-bromo-2-butoxy-N-[[3-methoxy-4-(3-methylbutoxy)phenyl]methyl]benzamide has a molecular weight of 478.43 g/mol, XLogP of 5.99, 12 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-butoxy-N-[[3-methoxy-4-(3-methylbutoxy)phenyl]methyl]benzamide is sourced from PubChem (CID 54776790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).