5-bromo-N-[(4-ethoxyphenyl)methyl]-N-methylpentanamide

C15H22BrNO2 — CID 107909192

IUPAC5-bromo-N-[(4-ethoxyphenyl)methyl]-N-methylpentanamide
SMILESCCOc1ccc(CN(C)C(=O)CCCCBr)cc1
InChIInChI=1S/C15H22BrNO2/c1-3-19-14-9-7-13(8-10-14)12-17(2)15(18)6-4-5-11-16/h7-10H,3-6,11-12H2,1-2H3
InChIKeyBZAHTXFIFCWNIY-UHFFFAOYSA-N
MW328.25 g/mol
LogP3.61
Rot. Bonds8

About 5-bromo-N-[(4-ethoxyphenyl)methyl]-N-methylpentanamide

5-bromo-N-[(4-ethoxyphenyl)methyl]-N-methylpentanamide (PubChem CID 107909192) has the molecular formula C15H22BrNO2 and a molecular weight of 328.25 g/mol. Its IUPAC name is 5-bromo-N-[(4-ethoxyphenyl)methyl]-N-methylpentanamide.

Molecular Properties

Compound Name5-bromo-N-[(4-ethoxyphenyl)methyl]-N-methylpentanamide
PubChem CID107909192
Molecular FormulaC15H22BrNO2
Molecular Weight328.25 g/mol
Exact Mass327.08
IUPAC Name5-bromo-N-[(4-ethoxyphenyl)methyl]-N-methylpentanamide
SMILESCCOc1ccc(CN(C)C(=O)CCCCBr)cc1
InChIInChI=1S/C15H22BrNO2/c1-3-19-14-9-7-13(8-10-14)12-17(2)15(18)6-4-5-11-16/h7-10H,3-6,11-12H2,1-2H3
InChIKeyBZAHTXFIFCWNIY-UHFFFAOYSA-N
XLogP3.61
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.25
LogP ≤ 53.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-[(4-ethoxyphenyl)methyl]-4-hydroxy-N-methylbutanamide
CID 79017080
7-amino-N-[(4-ethoxyphenyl)methyl]-N-methylheptanamide
CID 60938150
4-[3-[(4-ethoxyphenyl)methyl-methylamino]-3-oxopropyl]benzoic acid
CID 119179429
N-[4-[(4-ethoxyphenyl)methyl-methylamino]-4-oxobutyl]-2,2-dimethylpropanamide
CID 134037247
N-[(4-ethoxyphenyl)methyl]-N-methyl-3-(propan-2-ylamino)propanamide
CID 60936656
3-(tert-butylamino)-N-[(4-ethoxyphenyl)methyl]-N-methylpropanamide
CID 60936867
5-amino-N-[(4-ethoxyphenyl)methyl]-N,4-dimethylpentanamide
CID 82012601
N-[(4-ethoxyphenyl)methyl]-2-(4-fluorophenoxy)-N-methylacetamide
CID 78762371
N-[(4-ethoxyphenyl)methyl]-N,4-dimethylbenzamide
CID 78780692
N-[(4-ethoxyphenyl)methyl]-3-(furan-2-yl)-N-methylpropanamide
CID 78779679
N-[(4-bromophenyl)methyl]-N-methyloctanamide
CID 63531159
N-[(4-bromophenyl)methyl]-N-methyldecanamide
CID 65428442

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-[(4-ethoxyphenyl)methyl]-N-methylpentanamide?
The IUPAC name of 5-bromo-N-[(4-ethoxyphenyl)methyl]-N-methylpentanamide (CID 107909192) is 5-bromo-N-[(4-ethoxyphenyl)methyl]-N-methylpentanamide.
What is the SMILES notation for 5-bromo-N-[(4-ethoxyphenyl)methyl]-N-methylpentanamide?
The canonical SMILES for 5-bromo-N-[(4-ethoxyphenyl)methyl]-N-methylpentanamide is CCOc1ccc(CN(C)C(=O)CCCCBr)cc1.
What is the InChIKey of 5-bromo-N-[(4-ethoxyphenyl)methyl]-N-methylpentanamide?
The InChIKey is BZAHTXFIFCWNIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22BrNO2/c1-3-19-14-9-7-13(8-10-14)12-17(2)15(18)6-4-5-11-16/h7-10H,3-6,11-12H2,1-2H3.
What are the key properties of 5-bromo-N-[(4-ethoxyphenyl)methyl]-N-methylpentanamide?
5-bromo-N-[(4-ethoxyphenyl)methyl]-N-methylpentanamide has a molecular weight of 328.25 g/mol, XLogP of 3.61, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-[(4-ethoxyphenyl)methyl]-N-methylpentanamide is sourced from PubChem (CID 107909192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).