(2R)-N-[(2R)-2-(4-bromophenyl)-3-methylbutan-2-yl]oxolane-2-carboxamide

C16H22BrNO2 — CID 99795374

IUPAC(2R)-N-[(2R)-2-(4-bromophenyl)-3-methylbutan-2-yl]oxolane-2-carboxamide
SMILESCC(C)[C@@](C)(NC(=O)[C@H]1CCCO1)c1ccc(Br)cc1
InChIInChI=1S/C16H22BrNO2/c1-11(2)16(3,12-6-8-13(17)9-7-12)18-15(19)14-5-4-10-20-14/h6-9,11,14H,4-5,10H2,1-3H3,(H,18,19)/t14-,16-/m1/s1
InChIKeyISMLOZOXBDHLCF-GDBMZVCRSA-N
MW340.26 g/mol
LogP3.62
Rot. Bonds4

About (2R)-N-[(2R)-2-(4-bromophenyl)-3-methylbutan-2-yl]oxolane-2-carboxamide

(2R)-N-[(2R)-2-(4-bromophenyl)-3-methylbutan-2-yl]oxolane-2-carboxamide (PubChem CID 99795374) has the molecular formula C16H22BrNO2 and a molecular weight of 340.26 g/mol. Its IUPAC name is (2R)-N-[(2R)-2-(4-bromophenyl)-3-methylbutan-2-yl]oxolane-2-carboxamide.

Molecular Properties

Compound Name(2R)-N-[(2R)-2-(4-bromophenyl)-3-methylbutan-2-yl]oxolane-2-carboxamide
PubChem CID99795374
Molecular FormulaC16H22BrNO2
Molecular Weight340.26 g/mol
Exact Mass339.08
IUPAC Name(2R)-N-[(2R)-2-(4-bromophenyl)-3-methylbutan-2-yl]oxolane-2-carboxamide
SMILESCC(C)[C@@](C)(NC(=O)[C@H]1CCCO1)c1ccc(Br)cc1
InChIInChI=1S/C16H22BrNO2/c1-11(2)16(3,12-6-8-13(17)9-7-12)18-15(19)14-5-4-10-20-14/h6-9,11,14H,4-5,10H2,1-3H3,(H,18,19)/t14-,16-/m1/s1
InChIKeyISMLOZOXBDHLCF-GDBMZVCRSA-N
XLogP3.62
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.26
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2S)-N-[2-(4-bromophenyl)-2-methylpropyl]oxolane-2-carboxamide
CID 51948734
(2S)-N-(4-tert-butylphenyl)oxolane-2-carboxamide
CID 8779725
N-(4-tert-butylphenyl)oxane-2-carboxamide
CID 110858471
(4-tert-butylphenyl)-(oxolan-2-yl)methanone
CID 43160044
(2S)-N-[2-(4-nitrophenyl)propan-2-yl]oxolane-2-carboxamide
CID 96559481
(2R)-N-(5-bromo-2-methylphenyl)oxolane-2-carboxamide
CID 103849959
N-[5-bromo-2-(ethylamino)phenyl]oxolane-2-carboxamide
CID 75499394
(2R)-N-(1,3-dihydroxy-2-methylpropan-2-yl)oxolane-2-carboxamide
CID 104856124
(2S)-N-[2-tert-butyl-3-[[(2S)-oxolane-2-carbonyl]amino]phenyl]oxolane-2-carboxamide
CID 58409794
N-[2-(4-bromoanilino)-2-oxoethyl]oxolane-2-carboxamide
CID 47309395
N-(5-tert-butyl-2-methylphenyl)sulfonyloxane-2-carboxamide
CID 154781593
N-(2-acetyl-4-bromophenyl)oxolane-2-carboxamide
CID 75503576

Frequently Asked Questions

What is the IUPAC name of (2R)-N-[(2R)-2-(4-bromophenyl)-3-methylbutan-2-yl]oxolane-2-carboxamide?
The IUPAC name of (2R)-N-[(2R)-2-(4-bromophenyl)-3-methylbutan-2-yl]oxolane-2-carboxamide (CID 99795374) is (2R)-N-[(2R)-2-(4-bromophenyl)-3-methylbutan-2-yl]oxolane-2-carboxamide.
What is the SMILES notation for (2R)-N-[(2R)-2-(4-bromophenyl)-3-methylbutan-2-yl]oxolane-2-carboxamide?
The canonical SMILES for (2R)-N-[(2R)-2-(4-bromophenyl)-3-methylbutan-2-yl]oxolane-2-carboxamide is CC(C)[C@@](C)(NC(=O)[C@H]1CCCO1)c1ccc(Br)cc1.
What is the InChIKey of (2R)-N-[(2R)-2-(4-bromophenyl)-3-methylbutan-2-yl]oxolane-2-carboxamide?
The InChIKey is ISMLOZOXBDHLCF-GDBMZVCRSA-N. The full InChI is InChI=1S/C16H22BrNO2/c1-11(2)16(3,12-6-8-13(17)9-7-12)18-15(19)14-5-4-10-20-14/h6-9,11,14H,4-5,10H2,1-3H3,(H,18,19)/t14-,16-/m1/s1.
What are the key properties of (2R)-N-[(2R)-2-(4-bromophenyl)-3-methylbutan-2-yl]oxolane-2-carboxamide?
(2R)-N-[(2R)-2-(4-bromophenyl)-3-methylbutan-2-yl]oxolane-2-carboxamide has a molecular weight of 340.26 g/mol, XLogP of 3.62, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-[(2R)-2-(4-bromophenyl)-3-methylbutan-2-yl]oxolane-2-carboxamide is sourced from PubChem (CID 99795374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).