4-(2-bromophenoxy)-N-(cyclobutylmethyl)butanamide

C15H20BrNO2 — CID 47041102

IUPAC4-(2-bromophenoxy)-N-(cyclobutylmethyl)butanamide
SMILESO=C(CCCOc1ccccc1Br)NCC1CCC1
InChIInChI=1S/C15H20BrNO2/c16-13-7-1-2-8-14(13)19-10-4-9-15(18)17-11-12-5-3-6-12/h1-2,7-8,12H,3-6,9-11H2,(H,17,18)
InChIKeyLIEUPMMLXZTXLA-UHFFFAOYSA-N
MW326.23 g/mol
LogP3.52
Rot. Bonds7

About 4-(2-bromophenoxy)-N-(cyclobutylmethyl)butanamide

4-(2-bromophenoxy)-N-(cyclobutylmethyl)butanamide (PubChem CID 47041102) has the molecular formula C15H20BrNO2 and a molecular weight of 326.23 g/mol. Its IUPAC name is 4-(2-bromophenoxy)-N-(cyclobutylmethyl)butanamide.

Molecular Properties

Compound Name4-(2-bromophenoxy)-N-(cyclobutylmethyl)butanamide
PubChem CID47041102
Molecular FormulaC15H20BrNO2
Molecular Weight326.23 g/mol
Exact Mass325.07
IUPAC Name4-(2-bromophenoxy)-N-(cyclobutylmethyl)butanamide
SMILESO=C(CCCOc1ccccc1Br)NCC1CCC1
InChIInChI=1S/C15H20BrNO2/c16-13-7-1-2-8-14(13)19-10-4-9-15(18)17-11-12-5-3-6-12/h1-2,7-8,12H,3-6,9-11H2,(H,17,18)
InChIKeyLIEUPMMLXZTXLA-UHFFFAOYSA-N
XLogP3.52
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.23
LogP ≤ 53.52
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

N-(2-acetamidoethyl)-4-(2-bromophenoxy)butanamide
CID 47038930
4-[[4-(2-chlorophenoxy)butanoylamino]methyl]cyclohexane-1-carboxamide
CID 75534315
N-[2-(aminomethyl)cyclopentyl]-4-(2-bromophenoxy)butanamide;hydrochloride
CID 119603805
4-(2-chlorophenoxy)-N-[[(3S)-1,1-dioxothiolan-3-yl]methyl]butanamide
CID 94345213
4-(2-bromophenoxy)-N-[(2S)-2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]butanamide
CID 51952483
N-(cyclobutylmethyl)-5-(2,5-dimethylphenoxy)pentanamide
CID 47723201
4-(2-chlorophenoxy)-N-(pyrrolidin-2-ylmethyl)butanamide;hydrochloride
CID 119514717
4-(2-bromophenoxy)-N-(3-piperazin-1-ylpropyl)butanamide
CID 119393381
4-(2-bromophenoxy)-N-(4,5,6,7-tetrahydro-1-benzofuran-4-yl)butanamide
CID 78879460
5-bromo-N-(cyclobutylmethyl)pentanamide
CID 107907993
4-(2-bromophenoxy)-N-[1-(2,2-difluoroethyl)piperidin-4-yl]butanamide
CID 49072721
4-(2-bromophenoxy)-N'-[2-(2-ethoxyphenoxy)acetyl]butanehydrazide
CID 55738830

Frequently Asked Questions

What is the IUPAC name of 4-(2-bromophenoxy)-N-(cyclobutylmethyl)butanamide?
The IUPAC name of 4-(2-bromophenoxy)-N-(cyclobutylmethyl)butanamide (CID 47041102) is 4-(2-bromophenoxy)-N-(cyclobutylmethyl)butanamide.
What is the SMILES notation for 4-(2-bromophenoxy)-N-(cyclobutylmethyl)butanamide?
The canonical SMILES for 4-(2-bromophenoxy)-N-(cyclobutylmethyl)butanamide is O=C(CCCOc1ccccc1Br)NCC1CCC1.
What is the InChIKey of 4-(2-bromophenoxy)-N-(cyclobutylmethyl)butanamide?
The InChIKey is LIEUPMMLXZTXLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20BrNO2/c16-13-7-1-2-8-14(13)19-10-4-9-15(18)17-11-12-5-3-6-12/h1-2,7-8,12H,3-6,9-11H2,(H,17,18).
What are the key properties of 4-(2-bromophenoxy)-N-(cyclobutylmethyl)butanamide?
4-(2-bromophenoxy)-N-(cyclobutylmethyl)butanamide has a molecular weight of 326.23 g/mol, XLogP of 3.52, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-bromophenoxy)-N-(cyclobutylmethyl)butanamide is sourced from PubChem (CID 47041102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).