N-[(4-bromophenyl)methyl]-N-methyl-4-(methylamino)oxolane-3-carboxamide

C14H19BrN2O2 — CID 66266005

IUPACN-[(4-bromophenyl)methyl]-N-methyl-4-(methylamino)oxolane-3-carboxamide
SMILESCNC1COCC1C(=O)N(C)Cc1ccc(Br)cc1
InChIInChI=1S/C14H19BrN2O2/c1-16-13-9-19-8-12(13)14(18)17(2)7-10-3-5-11(15)6-4-10/h3-6,12-13,16H,7-9H2,1-2H3
InChIKeyMVEBNPXXWJPAQE-UHFFFAOYSA-N
MW327.22 g/mol
LogP1.64
Rot. Bonds4

About N-[(4-bromophenyl)methyl]-N-methyl-4-(methylamino)oxolane-3-carboxamide

N-[(4-bromophenyl)methyl]-N-methyl-4-(methylamino)oxolane-3-carboxamide (PubChem CID 66266005) has the molecular formula C14H19BrN2O2 and a molecular weight of 327.22 g/mol. Its IUPAC name is N-[(4-bromophenyl)methyl]-N-methyl-4-(methylamino)oxolane-3-carboxamide.

Molecular Properties

Compound NameN-[(4-bromophenyl)methyl]-N-methyl-4-(methylamino)oxolane-3-carboxamide
PubChem CID66266005
Molecular FormulaC14H19BrN2O2
Molecular Weight327.22 g/mol
Exact Mass326.06
IUPAC NameN-[(4-bromophenyl)methyl]-N-methyl-4-(methylamino)oxolane-3-carboxamide
SMILESCNC1COCC1C(=O)N(C)Cc1ccc(Br)cc1
InChIInChI=1S/C14H19BrN2O2/c1-16-13-9-19-8-12(13)14(18)17(2)7-10-3-5-11(15)6-4-10/h3-6,12-13,16H,7-9H2,1-2H3
InChIKeyMVEBNPXXWJPAQE-UHFFFAOYSA-N
XLogP1.64
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.22
LogP ≤ 51.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(4-bromophenyl)methyl]-N-methyl-4-(methylamino)oxolane-3-carboxamide?
The IUPAC name of N-[(4-bromophenyl)methyl]-N-methyl-4-(methylamino)oxolane-3-carboxamide (CID 66266005) is N-[(4-bromophenyl)methyl]-N-methyl-4-(methylamino)oxolane-3-carboxamide.
What is the SMILES notation for N-[(4-bromophenyl)methyl]-N-methyl-4-(methylamino)oxolane-3-carboxamide?
The canonical SMILES for N-[(4-bromophenyl)methyl]-N-methyl-4-(methylamino)oxolane-3-carboxamide is CNC1COCC1C(=O)N(C)Cc1ccc(Br)cc1.
What is the InChIKey of N-[(4-bromophenyl)methyl]-N-methyl-4-(methylamino)oxolane-3-carboxamide?
The InChIKey is MVEBNPXXWJPAQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19BrN2O2/c1-16-13-9-19-8-12(13)14(18)17(2)7-10-3-5-11(15)6-4-10/h3-6,12-13,16H,7-9H2,1-2H3.
What are the key properties of N-[(4-bromophenyl)methyl]-N-methyl-4-(methylamino)oxolane-3-carboxamide?
N-[(4-bromophenyl)methyl]-N-methyl-4-(methylamino)oxolane-3-carboxamide has a molecular weight of 327.22 g/mol, XLogP of 1.64, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-bromophenyl)methyl]-N-methyl-4-(methylamino)oxolane-3-carboxamide is sourced from PubChem (CID 66266005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).