4-(4-bromophenoxy)-N-[[4-(dimethylamino)phenyl]methyl]butanamide

C19H23BrN2O2 — CID 9304132

IUPAC4-(4-bromophenoxy)-N-[[4-(dimethylamino)phenyl]methyl]butanamide
SMILESCN(C)c1ccc(CNC(=O)CCCOc2ccc(Br)cc2)cc1
InChIInChI=1S/C19H23BrN2O2/c1-22(2)17-9-5-15(6-10-17)14-21-19(23)4-3-13-24-18-11-7-16(20)8-12-18/h5-12H,3-4,13-14H2,1-2H3,(H,21,23)
InChIKeyPKRKIRUEWVIEPK-UHFFFAOYSA-N
MW391.31 g/mol
LogP3.99
Rot. Bonds8

About 4-(4-bromophenoxy)-N-[[4-(dimethylamino)phenyl]methyl]butanamide

4-(4-bromophenoxy)-N-[[4-(dimethylamino)phenyl]methyl]butanamide (PubChem CID 9304132) has the molecular formula C19H23BrN2O2 and a molecular weight of 391.31 g/mol. Its IUPAC name is 4-(4-bromophenoxy)-N-[[4-(dimethylamino)phenyl]methyl]butanamide.

Molecular Properties

Compound Name4-(4-bromophenoxy)-N-[[4-(dimethylamino)phenyl]methyl]butanamide
PubChem CID9304132
Molecular FormulaC19H23BrN2O2
Molecular Weight391.31 g/mol
Exact Mass390.09
IUPAC Name4-(4-bromophenoxy)-N-[[4-(dimethylamino)phenyl]methyl]butanamide
SMILESCN(C)c1ccc(CNC(=O)CCCOc2ccc(Br)cc2)cc1
InChIInChI=1S/C19H23BrN2O2/c1-22(2)17-9-5-15(6-10-17)14-21-19(23)4-3-13-24-18-11-7-16(20)8-12-18/h5-12H,3-4,13-14H2,1-2H3,(H,21,23)
InChIKeyPKRKIRUEWVIEPK-UHFFFAOYSA-N
XLogP3.99
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.31
LogP ≤ 53.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[[4-(dimethylamino)phenyl]methyl]-4-(methylamino)butanamide
CID 61248604
N-[[4-(dimethylamino)phenyl]methyl]-4-naphthalen-1-yloxybutanamide
CID 46469275
N-[[4-[(dimethylamino)methyl]phenyl]methyl]-4-(4-fluorophenoxy)butanamide
CID 46536237
N-[[4-(dimethylamino)phenyl]methyl]octadecanamide
CID 154276818
N-[(4-methoxyphenyl)methyl]-4-phenoxybutanamide
CID 2569863
4-amino-N-[[4-[3-(dimethylamino)propoxy]phenyl]methyl]butanamide
CID 119877301
7-amino-N-[[4-(dimethylamino)phenyl]methyl]heptanamide
CID 61250502
N-[[4-(dimethylamino)phenyl]methyl]-2-(4-fluorophenoxy)acetamide
CID 9012519
4-[[4-(dimethylamino)phenyl]methylamino]-4-oxobutanoic acid
CID 54867572
4-(4-bromophenoxy)-N-[(2S)-2-hydroxypropyl]butanamide
CID 83030063
4-(4-acetylphenoxy)-N-[(4-methylphenyl)methyl]butanamide
CID 2677349
N-[(4-bromophenyl)methyl]butanamide
CID 22503328

Frequently Asked Questions

What is the IUPAC name of 4-(4-bromophenoxy)-N-[[4-(dimethylamino)phenyl]methyl]butanamide?
The IUPAC name of 4-(4-bromophenoxy)-N-[[4-(dimethylamino)phenyl]methyl]butanamide (CID 9304132) is 4-(4-bromophenoxy)-N-[[4-(dimethylamino)phenyl]methyl]butanamide.
What is the SMILES notation for 4-(4-bromophenoxy)-N-[[4-(dimethylamino)phenyl]methyl]butanamide?
The canonical SMILES for 4-(4-bromophenoxy)-N-[[4-(dimethylamino)phenyl]methyl]butanamide is CN(C)c1ccc(CNC(=O)CCCOc2ccc(Br)cc2)cc1.
What is the InChIKey of 4-(4-bromophenoxy)-N-[[4-(dimethylamino)phenyl]methyl]butanamide?
The InChIKey is PKRKIRUEWVIEPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23BrN2O2/c1-22(2)17-9-5-15(6-10-17)14-21-19(23)4-3-13-24-18-11-7-16(20)8-12-18/h5-12H,3-4,13-14H2,1-2H3,(H,21,23).
What are the key properties of 4-(4-bromophenoxy)-N-[[4-(dimethylamino)phenyl]methyl]butanamide?
4-(4-bromophenoxy)-N-[[4-(dimethylamino)phenyl]methyl]butanamide has a molecular weight of 391.31 g/mol, XLogP of 3.99, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-bromophenoxy)-N-[[4-(dimethylamino)phenyl]methyl]butanamide is sourced from PubChem (CID 9304132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).