2-bromo-N-[(1S,3S)-2,2-dimethyl-3-propan-2-yloxycyclobutyl]furan-3-carboxamide

C14H20BrNO3 — CID 125139099

IUPAC2-bromo-N-[(1S,3S)-2,2-dimethyl-3-propan-2-yloxycyclobutyl]furan-3-carboxamide
SMILESCC(C)O[C@H]1C[C@H](NC(=O)c2ccoc2Br)C1(C)C
InChIInChI=1S/C14H20BrNO3/c1-8(2)19-11-7-10(14(11,3)4)16-13(17)9-5-6-18-12(9)15/h5-6,8,10-11H,7H2,1-4H3,(H,16,17)/t10-,11-/m0/s1
InChIKeyJPLMSBXZNVKZOA-QWRGUYRKSA-N
MW330.22 g/mol
LogP3.36
Rot. Bonds4

About 2-bromo-N-[(1S,3S)-2,2-dimethyl-3-propan-2-yloxycyclobutyl]furan-3-carboxamide

2-bromo-N-[(1S,3S)-2,2-dimethyl-3-propan-2-yloxycyclobutyl]furan-3-carboxamide (PubChem CID 125139099) has the molecular formula C14H20BrNO3 and a molecular weight of 330.22 g/mol. Its IUPAC name is 2-bromo-N-[(1S,3S)-2,2-dimethyl-3-propan-2-yloxycyclobutyl]furan-3-carboxamide.

Molecular Properties

Compound Name2-bromo-N-[(1S,3S)-2,2-dimethyl-3-propan-2-yloxycyclobutyl]furan-3-carboxamide
PubChem CID125139099
Molecular FormulaC14H20BrNO3
Molecular Weight330.22 g/mol
Exact Mass329.06
IUPAC Name2-bromo-N-[(1S,3S)-2,2-dimethyl-3-propan-2-yloxycyclobutyl]furan-3-carboxamide
SMILESCC(C)O[C@H]1C[C@H](NC(=O)c2ccoc2Br)C1(C)C
InChIInChI=1S/C14H20BrNO3/c1-8(2)19-11-7-10(14(11,3)4)16-13(17)9-5-6-18-12(9)15/h5-6,8,10-11H,7H2,1-4H3,(H,16,17)/t10-,11-/m0/s1
InChIKeyJPLMSBXZNVKZOA-QWRGUYRKSA-N
XLogP3.36
TPSA51.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.22
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-bromo-N-[(1S,3S)-2,2-dimethyl-3-propan-2-yloxycyclobutyl]furan-3-carboxamide with MolForge

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Related Compounds

N-(2,2-dimethyl-3-propan-2-yloxycyclobutyl)pyrazolo[1,5-a]pyridine-4-carboxamide
CID 166251070
2-[(2-bromofuran-3-carbonyl)amino]-1-methylcyclohexane-1-carboxylic acid
CID 106851180
N-[(1S,3R)-2,2-dimethyl-3-propan-2-yloxycyclobutyl]-3-nitrobenzamide
CID 97309175
2-bromo-N-(1-cyclopropylethyl)furan-3-carboxamide
CID 106852619
2-bromo-N-[1-(cyclopropylamino)-1-oxopropan-2-yl]furan-3-carboxamide
CID 106854282
methyl 4-[(2-bromofuran-3-carbonyl)amino]cyclohexane-1-carboxylate
CID 106855282
2-bromo-N-(3-methylcyclohexyl)furan-3-carboxamide
CID 106852600
5-bromo-N-(3-methoxy-2,2-dimethylcyclobutyl)-2-methylbenzamide
CID 113252943
2-bromo-N-(3-methoxy-2,2-dimethylcyclobutyl)pyridine-3-carboxamide
CID 113255805
5-bromo-2-iodo-N-(3-methoxy-2,2-dimethylcyclobutyl)benzamide
CID 103742313
2-bromo-5-iodo-N-(3-methoxy-2,2-dimethylcyclobutyl)benzamide
CID 103990210
2-bromo-N-(2-methylpiperidin-4-yl)furan-3-carboxamide
CID 106995322

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-[(1S,3S)-2,2-dimethyl-3-propan-2-yloxycyclobutyl]furan-3-carboxamide?
The IUPAC name of 2-bromo-N-[(1S,3S)-2,2-dimethyl-3-propan-2-yloxycyclobutyl]furan-3-carboxamide (CID 125139099) is 2-bromo-N-[(1S,3S)-2,2-dimethyl-3-propan-2-yloxycyclobutyl]furan-3-carboxamide.
What is the SMILES notation for 2-bromo-N-[(1S,3S)-2,2-dimethyl-3-propan-2-yloxycyclobutyl]furan-3-carboxamide?
The canonical SMILES for 2-bromo-N-[(1S,3S)-2,2-dimethyl-3-propan-2-yloxycyclobutyl]furan-3-carboxamide is CC(C)O[C@H]1C[C@H](NC(=O)c2ccoc2Br)C1(C)C.
What is the InChIKey of 2-bromo-N-[(1S,3S)-2,2-dimethyl-3-propan-2-yloxycyclobutyl]furan-3-carboxamide?
The InChIKey is JPLMSBXZNVKZOA-QWRGUYRKSA-N. The full InChI is InChI=1S/C14H20BrNO3/c1-8(2)19-11-7-10(14(11,3)4)16-13(17)9-5-6-18-12(9)15/h5-6,8,10-11H,7H2,1-4H3,(H,16,17)/t10-,11-/m0/s1.
What are the key properties of 2-bromo-N-[(1S,3S)-2,2-dimethyl-3-propan-2-yloxycyclobutyl]furan-3-carboxamide?
2-bromo-N-[(1S,3S)-2,2-dimethyl-3-propan-2-yloxycyclobutyl]furan-3-carboxamide has a molecular weight of 330.22 g/mol, XLogP of 3.36, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-[(1S,3S)-2,2-dimethyl-3-propan-2-yloxycyclobutyl]furan-3-carboxamide is sourced from PubChem (CID 125139099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).