4-amino-N-(4-bromo-3-methoxyphenyl)-3-methyloxolane-3-carboxamide

C13H17BrN2O3 — CID 82868045

IUPAC4-amino-N-(4-bromo-3-methoxyphenyl)-3-methyloxolane-3-carboxamide
SMILESCOc1cc(NC(=O)C2(C)COCC2N)ccc1Br
InChIInChI=1S/C13H17BrN2O3/c1-13(7-19-6-11(13)15)12(17)16-8-3-4-9(14)10(5-8)18-2/h3-5,11H,6-7,15H2,1-2H3,(H,16,17)
InChIKeySQQCWWVPHQSJDL-UHFFFAOYSA-N
MW329.19 g/mol
LogP1.76
Rot. Bonds3

About 4-amino-N-(4-bromo-3-methoxyphenyl)-3-methyloxolane-3-carboxamide

4-amino-N-(4-bromo-3-methoxyphenyl)-3-methyloxolane-3-carboxamide (PubChem CID 82868045) has the molecular formula C13H17BrN2O3 and a molecular weight of 329.19 g/mol. Its IUPAC name is 4-amino-N-(4-bromo-3-methoxyphenyl)-3-methyloxolane-3-carboxamide.

Molecular Properties

Compound Name4-amino-N-(4-bromo-3-methoxyphenyl)-3-methyloxolane-3-carboxamide
PubChem CID82868045
Molecular FormulaC13H17BrN2O3
Molecular Weight329.19 g/mol
Exact Mass328.04
IUPAC Name4-amino-N-(4-bromo-3-methoxyphenyl)-3-methyloxolane-3-carboxamide
SMILESCOc1cc(NC(=O)C2(C)COCC2N)ccc1Br
InChIInChI=1S/C13H17BrN2O3/c1-13(7-19-6-11(13)15)12(17)16-8-3-4-9(14)10(5-8)18-2/h3-5,11H,6-7,15H2,1-2H3,(H,16,17)
InChIKeySQQCWWVPHQSJDL-UHFFFAOYSA-N
XLogP1.76
TPSA73.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.19
LogP ≤ 51.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-[(4-amino-3-methyloxolane-3-carbonyl)amino]-2-methoxybenzoic acid
CID 107208126
4-amino-N-(3-bromo-4-methylphenyl)-3-methyloxolane-3-carboxamide
CID 66264602
4-amino-N-(5-carbamoyl-2-methoxyphenyl)-3-methyloxolane-3-carboxamide
CID 66248860
4-amino-N-[4-(difluoromethoxy)-3-fluorophenyl]-3-methyloxolane-3-carboxamide
CID 66250237
1-[(4-bromo-3-methoxyphenyl)carbamoyl]cyclopropane-1-carboxylic acid
CID 82860618
4-(aminomethyl)-N-(4-bromo-3-methoxyphenyl)oxane-4-carboxamide
CID 82867312
4-amino-N-[3-(2-methoxyethoxy)phenyl]-3-methyloxolane-3-carboxamide
CID 66250431
4-amino-N-(4-ethoxyphenyl)-3-methyloxolane-3-carboxamide
CID 66248425
4-amino-3-methyl-N-[4-(methylcarbamoyl)phenyl]oxolane-3-carboxamide
CID 66250609
4-amino-N-(4-chloro-3-cyanophenyl)-3-methyloxolane-3-carboxamide
CID 66248652
4-amino-N-[4-(ethylcarbamoyl)phenyl]-3-methyloxolane-3-carboxamide
CID 66250037
4-amino-3-methyl-N-[3-(sulfamoylamino)phenyl]oxolane-3-carboxamide
CID 66250424

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-(4-bromo-3-methoxyphenyl)-3-methyloxolane-3-carboxamide?
The IUPAC name of 4-amino-N-(4-bromo-3-methoxyphenyl)-3-methyloxolane-3-carboxamide (CID 82868045) is 4-amino-N-(4-bromo-3-methoxyphenyl)-3-methyloxolane-3-carboxamide.
What is the SMILES notation for 4-amino-N-(4-bromo-3-methoxyphenyl)-3-methyloxolane-3-carboxamide?
The canonical SMILES for 4-amino-N-(4-bromo-3-methoxyphenyl)-3-methyloxolane-3-carboxamide is COc1cc(NC(=O)C2(C)COCC2N)ccc1Br.
What is the InChIKey of 4-amino-N-(4-bromo-3-methoxyphenyl)-3-methyloxolane-3-carboxamide?
The InChIKey is SQQCWWVPHQSJDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17BrN2O3/c1-13(7-19-6-11(13)15)12(17)16-8-3-4-9(14)10(5-8)18-2/h3-5,11H,6-7,15H2,1-2H3,(H,16,17).
What are the key properties of 4-amino-N-(4-bromo-3-methoxyphenyl)-3-methyloxolane-3-carboxamide?
4-amino-N-(4-bromo-3-methoxyphenyl)-3-methyloxolane-3-carboxamide has a molecular weight of 329.19 g/mol, XLogP of 1.76, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-(4-bromo-3-methoxyphenyl)-3-methyloxolane-3-carboxamide is sourced from PubChem (CID 82868045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).