N-[2-(3-bromophenoxy)propyl]oxane-4-carboxamide

C15H20BrNO3 — CID 71993929

IUPACN-[2-(3-bromophenoxy)propyl]oxane-4-carboxamide
SMILESCC(CNC(=O)C1CCOCC1)Oc1cccc(Br)c1
InChIInChI=1S/C15H20BrNO3/c1-11(20-14-4-2-3-13(16)9-14)10-17-15(18)12-5-7-19-8-6-12/h2-4,9,11-12H,5-8,10H2,1H3,(H,17,18)
InChIKeyMTBLARMXNMWVKB-UHFFFAOYSA-N
MW342.23 g/mol
LogP2.76
Rot. Bonds5

About N-[2-(3-bromophenoxy)propyl]oxane-4-carboxamide

N-[2-(3-bromophenoxy)propyl]oxane-4-carboxamide (PubChem CID 71993929) has the molecular formula C15H20BrNO3 and a molecular weight of 342.23 g/mol. Its IUPAC name is N-[2-(3-bromophenoxy)propyl]oxane-4-carboxamide.

Molecular Properties

Compound NameN-[2-(3-bromophenoxy)propyl]oxane-4-carboxamide
PubChem CID71993929
Molecular FormulaC15H20BrNO3
Molecular Weight342.23 g/mol
Exact Mass341.06
IUPAC NameN-[2-(3-bromophenoxy)propyl]oxane-4-carboxamide
SMILESCC(CNC(=O)C1CCOCC1)Oc1cccc(Br)c1
InChIInChI=1S/C15H20BrNO3/c1-11(20-14-4-2-3-13(16)9-14)10-17-15(18)12-5-7-19-8-6-12/h2-4,9,11-12H,5-8,10H2,1H3,(H,17,18)
InChIKeyMTBLARMXNMWVKB-UHFFFAOYSA-N
XLogP2.76
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.23
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(3-fluorophenoxy)propyl]-1-(oxan-4-yl)azetidine-3-carboxamide
CID 154766090
4-[2-(3-methylphenoxy)propylcarbamoyl]cyclohexane-1-carboxylic acid
CID 120673900
3-amino-N-[2-(3-bromophenoxy)propyl]butanamide
CID 119804606
N-[2-(3-propan-2-ylphenoxy)ethyl]oxane-4-carboxamide
CID 113100261
N-[2-(3-bromophenoxy)propyl]-2-pyrrolidin-2-ylacetamide
CID 119804610
2-acetamido-N-[2-(3-bromophenoxy)propyl]propanamide
CID 71993930
N-[2-(3-bromophenoxy)propyl]-2-pyrrolidin-2-ylacetamide;hydrochloride
CID 119804609
2-amino-N-[2-(3-bromophenoxy)propyl]pentanamide;hydrochloride
CID 119335567
4-[2-(4-methylphenoxy)propylcarbamoyl]cyclohexane-1-carboxylic acid
CID 120672729
N-[(2R)-2-(3-bromophenoxy)propyl]pyrazine-2-carboxamide
CID 96568538
N-[2-(3-tert-butylphenoxy)ethyl]oxane-4-carboxamide
CID 113100479
3-amino-N-[2-(3-fluorophenoxy)propyl]cyclopentane-1-carboxamide;hydrochloride
CID 119804739

Frequently Asked Questions

What is the IUPAC name of N-[2-(3-bromophenoxy)propyl]oxane-4-carboxamide?
The IUPAC name of N-[2-(3-bromophenoxy)propyl]oxane-4-carboxamide (CID 71993929) is N-[2-(3-bromophenoxy)propyl]oxane-4-carboxamide.
What is the SMILES notation for N-[2-(3-bromophenoxy)propyl]oxane-4-carboxamide?
The canonical SMILES for N-[2-(3-bromophenoxy)propyl]oxane-4-carboxamide is CC(CNC(=O)C1CCOCC1)Oc1cccc(Br)c1.
What is the InChIKey of N-[2-(3-bromophenoxy)propyl]oxane-4-carboxamide?
The InChIKey is MTBLARMXNMWVKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20BrNO3/c1-11(20-14-4-2-3-13(16)9-14)10-17-15(18)12-5-7-19-8-6-12/h2-4,9,11-12H,5-8,10H2,1H3,(H,17,18).
What are the key properties of N-[2-(3-bromophenoxy)propyl]oxane-4-carboxamide?
N-[2-(3-bromophenoxy)propyl]oxane-4-carboxamide has a molecular weight of 342.23 g/mol, XLogP of 2.76, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-bromophenoxy)propyl]oxane-4-carboxamide is sourced from PubChem (CID 71993929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).