N-[(2-bromophenyl)methyl]-N-methyl-4-(2-methylphenoxy)butanamide

C19H22BrNO2 — CID 134018541

IUPACN-[(2-bromophenyl)methyl]-N-methyl-4-(2-methylphenoxy)butanamide
SMILESCc1ccccc1OCCCC(=O)N(C)Cc1ccccc1Br
InChIInChI=1S/C19H22BrNO2/c1-15-8-3-6-11-18(15)23-13-7-12-19(22)21(2)14-16-9-4-5-10-17(16)20/h3-6,8-11H,7,12-14H2,1-2H3
InChIKeyMLGILPQXWPVEHR-UHFFFAOYSA-N
MW376.29 g/mol
LogP4.58
Rot. Bonds7

About N-[(2-bromophenyl)methyl]-N-methyl-4-(2-methylphenoxy)butanamide

N-[(2-bromophenyl)methyl]-N-methyl-4-(2-methylphenoxy)butanamide (PubChem CID 134018541) has the molecular formula C19H22BrNO2 and a molecular weight of 376.29 g/mol. Its IUPAC name is N-[(2-bromophenyl)methyl]-N-methyl-4-(2-methylphenoxy)butanamide.

Molecular Properties

Compound NameN-[(2-bromophenyl)methyl]-N-methyl-4-(2-methylphenoxy)butanamide
PubChem CID134018541
Molecular FormulaC19H22BrNO2
Molecular Weight376.29 g/mol
Exact Mass375.08
IUPAC NameN-[(2-bromophenyl)methyl]-N-methyl-4-(2-methylphenoxy)butanamide
SMILESCc1ccccc1OCCCC(=O)N(C)Cc1ccccc1Br
InChIInChI=1S/C19H22BrNO2/c1-15-8-3-6-11-18(15)23-13-7-12-19(22)21(2)14-16-9-4-5-10-17(16)20/h3-6,8-11H,7,12-14H2,1-2H3
InChIKeyMLGILPQXWPVEHR-UHFFFAOYSA-N
XLogP4.58
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.29
LogP ≤ 54.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-[(2-bromophenyl)methyl]-4-ethoxy-N-methylbutanamide
CID 112728025
N-[(2-bromophenyl)methyl]-4-hydroxy-N-methylbutanamide
CID 79204909
N-[(2-bromophenyl)methyl]-N-methylheptanamide
CID 113221232
2-(2-bromophenoxy)-N-methyl-N-[(2-methylphenyl)methyl]acetamide
CID 112777998
N-[(2-bromophenyl)methyl]-3-(2-chloro-4-fluorophenoxy)-N-methylpropanamide
CID 55770838
3-(2-bromophenyl)-N-[(2-bromophenyl)methyl]-N-methylpropanamide
CID 55833713
N-[(2-bromophenyl)methyl]-N-methyl-4-(methylamino)butanamide
CID 54869193
N-[(2-bromophenyl)methyl]-2-hydroxy-N-methylacetamide
CID 16769580
N-methyl-N-[2-(2-methylphenoxy)ethyl]pentanamide
CID 86909739
2-methyl-5-[[methyl-[4-(2-methylphenoxy)butanoyl]amino]methyl]furan-3-carboxylic acid
CID 119222646
N-[(2-hydroxyphenyl)methyl]-N-methyl-4-naphthalen-1-yloxybutanamide
CID 60518694
5-chloro-N-methyl-N-[(2-methylphenyl)methyl]pentanamide
CID 43578825

Frequently Asked Questions

What is the IUPAC name of N-[(2-bromophenyl)methyl]-N-methyl-4-(2-methylphenoxy)butanamide?
The IUPAC name of N-[(2-bromophenyl)methyl]-N-methyl-4-(2-methylphenoxy)butanamide (CID 134018541) is N-[(2-bromophenyl)methyl]-N-methyl-4-(2-methylphenoxy)butanamide.
What is the SMILES notation for N-[(2-bromophenyl)methyl]-N-methyl-4-(2-methylphenoxy)butanamide?
The canonical SMILES for N-[(2-bromophenyl)methyl]-N-methyl-4-(2-methylphenoxy)butanamide is Cc1ccccc1OCCCC(=O)N(C)Cc1ccccc1Br.
What is the InChIKey of N-[(2-bromophenyl)methyl]-N-methyl-4-(2-methylphenoxy)butanamide?
The InChIKey is MLGILPQXWPVEHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22BrNO2/c1-15-8-3-6-11-18(15)23-13-7-12-19(22)21(2)14-16-9-4-5-10-17(16)20/h3-6,8-11H,7,12-14H2,1-2H3.
What are the key properties of N-[(2-bromophenyl)methyl]-N-methyl-4-(2-methylphenoxy)butanamide?
N-[(2-bromophenyl)methyl]-N-methyl-4-(2-methylphenoxy)butanamide has a molecular weight of 376.29 g/mol, XLogP of 4.58, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-bromophenyl)methyl]-N-methyl-4-(2-methylphenoxy)butanamide is sourced from PubChem (CID 134018541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).