4-(4-bromophenoxy)-N-[(1-hydroxycyclobutyl)methyl]butanamide

C15H20BrNO3 — CID 115668822

IUPAC4-(4-bromophenoxy)-N-[(1-hydroxycyclobutyl)methyl]butanamide
SMILESO=C(CCCOc1ccc(Br)cc1)NCC1(O)CCC1
InChIInChI=1S/C15H20BrNO3/c16-12-4-6-13(7-5-12)20-10-1-3-14(18)17-11-15(19)8-2-9-15/h4-7,19H,1-3,8-11H2,(H,17,18)
InChIKeyRFWKIHMQMRAOEC-UHFFFAOYSA-N
MW342.23 g/mol
LogP2.64
Rot. Bonds7

About 4-(4-bromophenoxy)-N-[(1-hydroxycyclobutyl)methyl]butanamide

4-(4-bromophenoxy)-N-[(1-hydroxycyclobutyl)methyl]butanamide (PubChem CID 115668822) has the molecular formula C15H20BrNO3 and a molecular weight of 342.23 g/mol. Its IUPAC name is 4-(4-bromophenoxy)-N-[(1-hydroxycyclobutyl)methyl]butanamide.

Molecular Properties

Compound Name4-(4-bromophenoxy)-N-[(1-hydroxycyclobutyl)methyl]butanamide
PubChem CID115668822
Molecular FormulaC15H20BrNO3
Molecular Weight342.23 g/mol
Exact Mass341.06
IUPAC Name4-(4-bromophenoxy)-N-[(1-hydroxycyclobutyl)methyl]butanamide
SMILESO=C(CCCOc1ccc(Br)cc1)NCC1(O)CCC1
InChIInChI=1S/C15H20BrNO3/c16-12-4-6-13(7-5-12)20-10-1-3-14(18)17-11-15(19)8-2-9-15/h4-7,19H,1-3,8-11H2,(H,17,18)
InChIKeyRFWKIHMQMRAOEC-UHFFFAOYSA-N
XLogP2.64
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.23
LogP ≤ 52.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-[[4-(4-bromophenoxy)butanoylamino]methyl]cyclopropane-1-carboxylic acid
CID 115449683
4-(3,4-dimethylphenoxy)-N-[(1-hydroxycyclobutyl)methyl]butanamide
CID 111560556
3-(4-bromophenoxy)-N-[[1-(hydroxymethyl)cyclopentyl]methyl]propanamide
CID 115362467
3-(3,4-dimethylphenoxy)-N-[(1-hydroxycyclobutyl)methyl]propanamide
CID 111539418
4-(4-bromophenoxy)-N-(2-chloroprop-2-enyl)butanamide
CID 115636838
N-[(3-hydroxypyrrolidin-3-yl)methyl]-4-phenoxybutanamide
CID 91836814
4-(4-bromophenoxy)-N-[(2S)-2-hydroxypropyl]butanamide
CID 83030063
4-bromo-N-[(1-hydroxycyclobutyl)methyl]benzamide
CID 111445424
1-[4-(4-fluorophenoxy)butyl]-3-[(1-hydroxycyclobutyl)methyl]urea
CID 111438037
1-[[4-(4-fluorophenoxy)butanoylamino]methyl]cyclohexane-1-carboxylic acid
CID 120544218
7-amino-N-[2-(4-bromophenoxy)ethyl]heptanamide
CID 119757498
3-(4-bromophenoxy)-N-(2-hydroxyethyl)propanamide
CID 43427786

Frequently Asked Questions

What is the IUPAC name of 4-(4-bromophenoxy)-N-[(1-hydroxycyclobutyl)methyl]butanamide?
The IUPAC name of 4-(4-bromophenoxy)-N-[(1-hydroxycyclobutyl)methyl]butanamide (CID 115668822) is 4-(4-bromophenoxy)-N-[(1-hydroxycyclobutyl)methyl]butanamide.
What is the SMILES notation for 4-(4-bromophenoxy)-N-[(1-hydroxycyclobutyl)methyl]butanamide?
The canonical SMILES for 4-(4-bromophenoxy)-N-[(1-hydroxycyclobutyl)methyl]butanamide is O=C(CCCOc1ccc(Br)cc1)NCC1(O)CCC1.
What is the InChIKey of 4-(4-bromophenoxy)-N-[(1-hydroxycyclobutyl)methyl]butanamide?
The InChIKey is RFWKIHMQMRAOEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20BrNO3/c16-12-4-6-13(7-5-12)20-10-1-3-14(18)17-11-15(19)8-2-9-15/h4-7,19H,1-3,8-11H2,(H,17,18).
What are the key properties of 4-(4-bromophenoxy)-N-[(1-hydroxycyclobutyl)methyl]butanamide?
4-(4-bromophenoxy)-N-[(1-hydroxycyclobutyl)methyl]butanamide has a molecular weight of 342.23 g/mol, XLogP of 2.64, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-bromophenoxy)-N-[(1-hydroxycyclobutyl)methyl]butanamide is sourced from PubChem (CID 115668822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).