3-amino-N-[(3-bromophenyl)methyl]-N-methyloxolane-3-carboxamide

C13H17BrN2O2 — CID 64892163

IUPAC3-amino-N-[(3-bromophenyl)methyl]-N-methyloxolane-3-carboxamide
SMILESCN(Cc1cccc(Br)c1)C(=O)C1(N)CCOC1
InChIInChI=1S/C13H17BrN2O2/c1-16(8-10-3-2-4-11(14)7-10)12(17)13(15)5-6-18-9-13/h2-4,7H,5-6,8-9,15H2,1H3
InChIKeyXCJXXMLIQXDDTH-UHFFFAOYSA-N
MW313.19 g/mol
LogP1.53
Rot. Bonds3

About 3-amino-N-[(3-bromophenyl)methyl]-N-methyloxolane-3-carboxamide

3-amino-N-[(3-bromophenyl)methyl]-N-methyloxolane-3-carboxamide (PubChem CID 64892163) has the molecular formula C13H17BrN2O2 and a molecular weight of 313.19 g/mol. Its IUPAC name is 3-amino-N-[(3-bromophenyl)methyl]-N-methyloxolane-3-carboxamide.

Molecular Properties

Compound Name3-amino-N-[(3-bromophenyl)methyl]-N-methyloxolane-3-carboxamide
PubChem CID64892163
Molecular FormulaC13H17BrN2O2
Molecular Weight313.19 g/mol
Exact Mass312.05
IUPAC Name3-amino-N-[(3-bromophenyl)methyl]-N-methyloxolane-3-carboxamide
SMILESCN(Cc1cccc(Br)c1)C(=O)C1(N)CCOC1
InChIInChI=1S/C13H17BrN2O2/c1-16(8-10-3-2-4-11(14)7-10)12(17)13(15)5-6-18-9-13/h2-4,7H,5-6,8-9,15H2,1H3
InChIKeyXCJXXMLIQXDDTH-UHFFFAOYSA-N
XLogP1.53
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.19
LogP ≤ 51.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-amino-N-[(3-hydroxyphenyl)methyl]-N-methyloxolane-3-carboxamide
CID 64893376
1-amino-N-[(3-bromophenyl)methyl]-N-methylcyclopentane-1-carboxamide;hydrochloride
CID 119285924
4-amino-N-benzyl-N-methyloxane-4-carboxamide
CID 115293535
1-amino-N-[2-(3-bromophenyl)ethyl]-N-methylcyclopropane-1-carboxamide
CID 115190038
3-amino-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]oxolane-3-carboxamide
CID 64893781
3-amino-N-methyl-N-(1H-pyrazol-4-ylmethyl)oxolane-3-carboxamide
CID 64893014
3-amino-N-[(2,3-dimethoxyphenyl)methyl]-N-methyloxolane-3-carboxamide
CID 64891744
3-(aminomethyl)-N-[(3-bromophenyl)methyl]-N-methyloxolan-3-amine
CID 63335444
(3-bromophenyl)methyl 4-aminooxane-4-carboxylate
CID 82824547
1-amino-N-[(3-fluorophenyl)methyl]-N-methylcyclopropane-1-carboxamide
CID 65466557
N-[(3-bromophenyl)methyl]-N,3-dimethylpyrrolidine-3-carboxamide
CID 63143655
3-amino-N-cyclopropyl-N-[(3-fluorophenyl)methyl]oxolane-3-carboxamide
CID 64893161

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[(3-bromophenyl)methyl]-N-methyloxolane-3-carboxamide?
The IUPAC name of 3-amino-N-[(3-bromophenyl)methyl]-N-methyloxolane-3-carboxamide (CID 64892163) is 3-amino-N-[(3-bromophenyl)methyl]-N-methyloxolane-3-carboxamide.
What is the SMILES notation for 3-amino-N-[(3-bromophenyl)methyl]-N-methyloxolane-3-carboxamide?
The canonical SMILES for 3-amino-N-[(3-bromophenyl)methyl]-N-methyloxolane-3-carboxamide is CN(Cc1cccc(Br)c1)C(=O)C1(N)CCOC1.
What is the InChIKey of 3-amino-N-[(3-bromophenyl)methyl]-N-methyloxolane-3-carboxamide?
The InChIKey is XCJXXMLIQXDDTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17BrN2O2/c1-16(8-10-3-2-4-11(14)7-10)12(17)13(15)5-6-18-9-13/h2-4,7H,5-6,8-9,15H2,1H3.
What are the key properties of 3-amino-N-[(3-bromophenyl)methyl]-N-methyloxolane-3-carboxamide?
3-amino-N-[(3-bromophenyl)methyl]-N-methyloxolane-3-carboxamide has a molecular weight of 313.19 g/mol, XLogP of 1.53, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[(3-bromophenyl)methyl]-N-methyloxolane-3-carboxamide is sourced from PubChem (CID 64892163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).