N-(4-bromocyclohexyl)oxane-2-carboxamide

C12H20BrNO2 — CID 114308956

IUPACN-(4-bromocyclohexyl)oxane-2-carboxamide
SMILESO=C(NC1CCC(Br)CC1)C1CCCCO1
InChIInChI=1S/C12H20BrNO2/c13-9-4-6-10(7-5-9)14-12(15)11-3-1-2-8-16-11/h9-11H,1-8H2,(H,14,15)
InChIKeyYDTPNOCEPQQLTO-UHFFFAOYSA-N
MW290.20 g/mol
LogP2.38
Rot. Bonds2

About N-(4-bromocyclohexyl)oxane-2-carboxamide

N-(4-bromocyclohexyl)oxane-2-carboxamide (PubChem CID 114308956) has the molecular formula C12H20BrNO2 and a molecular weight of 290.20 g/mol. Its IUPAC name is N-(4-bromocyclohexyl)oxane-2-carboxamide.

Molecular Properties

Compound NameN-(4-bromocyclohexyl)oxane-2-carboxamide
PubChem CID114308956
Molecular FormulaC12H20BrNO2
Molecular Weight290.20 g/mol
Exact Mass289.07
IUPAC NameN-(4-bromocyclohexyl)oxane-2-carboxamide
SMILESO=C(NC1CCC(Br)CC1)C1CCCCO1
InChIInChI=1S/C12H20BrNO2/c13-9-4-6-10(7-5-9)14-12(15)11-3-1-2-8-16-11/h9-11H,1-8H2,(H,14,15)
InChIKeyYDTPNOCEPQQLTO-UHFFFAOYSA-N
XLogP2.38
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.20
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(2R)-N-cyclopropyloxolane-2-carboxamide
CID 40569533
(2S)-N-cyclopentyloxolane-2-carboxamide
CID 7368997
(2R)-N-cyclopentyloxolane-2-carboxamide
CID 7368998
(2S)-N-[4-(methylamino)cyclohexyl]oxolane-2-carboxamide
CID 93256529
(2R)-N-[4-(methylamino)cyclohexyl]oxolane-2-carboxamide
CID 93256530
N-(oxan-4-yl)oxolane-2-carboxamide
CID 110726803
N-[(4-bromocyclohexyl)methyl]oxane-2-carboxamide
CID 106134208
N-[(3R)-pyrrolidin-3-yl]oxane-2-carboxamide
CID 79689498
(2S)-N-(azetidin-3-yl)oxolane-2-carboxamide
CID 104856358
3-(oxolane-2-carbonylamino)cyclopentane-1-carboxylic acid
CID 66032104
N-[4-(propylamino)cyclohexyl]oxolane-2-carboxamide
CID 43653441
N-(2-methylcyclopropyl)oxane-2-carboxamide
CID 131084366

Frequently Asked Questions

What is the IUPAC name of N-(4-bromocyclohexyl)oxane-2-carboxamide?
The IUPAC name of N-(4-bromocyclohexyl)oxane-2-carboxamide (CID 114308956) is N-(4-bromocyclohexyl)oxane-2-carboxamide.
What is the SMILES notation for N-(4-bromocyclohexyl)oxane-2-carboxamide?
The canonical SMILES for N-(4-bromocyclohexyl)oxane-2-carboxamide is O=C(NC1CCC(Br)CC1)C1CCCCO1.
What is the InChIKey of N-(4-bromocyclohexyl)oxane-2-carboxamide?
The InChIKey is YDTPNOCEPQQLTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20BrNO2/c13-9-4-6-10(7-5-9)14-12(15)11-3-1-2-8-16-11/h9-11H,1-8H2,(H,14,15).
What are the key properties of N-(4-bromocyclohexyl)oxane-2-carboxamide?
N-(4-bromocyclohexyl)oxane-2-carboxamide has a molecular weight of 290.20 g/mol, XLogP of 2.38, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromocyclohexyl)oxane-2-carboxamide is sourced from PubChem (CID 114308956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).