N-methyl-N-[1-[3-(2-oxo-1,3-oxazolidin-3-yl)phenyl]ethyl]bicyclo[1.1.0]butane-1-carboxamide

C17H20N2O3 — CID 166427374

IUPACN-methyl-N-[1-[3-(2-oxo-1,3-oxazolidin-3-yl)phenyl]ethyl]bicyclo[1.1.0]butane-1-carboxamide
SMILESCC(c1cccc(N2CCOC2=O)c1)N(C)C(=O)C12CC1C2
InChIInChI=1S/C17H20N2O3/c1-11(18(2)15(20)17-9-13(17)10-17)12-4-3-5-14(8-12)19-6-7-22-16(19)21/h3-5,8,11,13H,6-7,9-10H2,1-2H3
InChIKeyHNBYIBJKMYHAAC-UHFFFAOYSA-N
MW300.36 g/mol
LogP2.57
Rot. Bonds4

About N-methyl-N-[1-[3-(2-oxo-1,3-oxazolidin-3-yl)phenyl]ethyl]bicyclo[1.1.0]butane-1-carboxamide

N-methyl-N-[1-[3-(2-oxo-1,3-oxazolidin-3-yl)phenyl]ethyl]bicyclo[1.1.0]butane-1-carboxamide (PubChem CID 166427374) has the molecular formula C17H20N2O3 and a molecular weight of 300.36 g/mol. Its IUPAC name is N-methyl-N-[1-[3-(2-oxo-1,3-oxazolidin-3-yl)phenyl]ethyl]bicyclo[1.1.0]butane-1-carboxamide.

Molecular Properties

Compound NameN-methyl-N-[1-[3-(2-oxo-1,3-oxazolidin-3-yl)phenyl]ethyl]bicyclo[1.1.0]butane-1-carboxamide
PubChem CID166427374
Molecular FormulaC17H20N2O3
Molecular Weight300.36 g/mol
Exact Mass300.15
IUPAC NameN-methyl-N-[1-[3-(2-oxo-1,3-oxazolidin-3-yl)phenyl]ethyl]bicyclo[1.1.0]butane-1-carboxamide
SMILESCC(c1cccc(N2CCOC2=O)c1)N(C)C(=O)C12CC1C2
InChIInChI=1S/C17H20N2O3/c1-11(18(2)15(20)17-9-13(17)10-17)12-4-3-5-14(8-12)19-6-7-22-16(19)21/h3-5,8,11,13H,6-7,9-10H2,1-2H3
InChIKeyHNBYIBJKMYHAAC-UHFFFAOYSA-N
XLogP2.57
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.36
LogP ≤ 52.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[1-[3-(2-oxo-1,3-oxazolidin-3-yl)phenyl]ethyl]bicyclo[1.1.0]butane-1-carboxamide?
The IUPAC name of N-methyl-N-[1-[3-(2-oxo-1,3-oxazolidin-3-yl)phenyl]ethyl]bicyclo[1.1.0]butane-1-carboxamide (CID 166427374) is N-methyl-N-[1-[3-(2-oxo-1,3-oxazolidin-3-yl)phenyl]ethyl]bicyclo[1.1.0]butane-1-carboxamide.
What is the SMILES notation for N-methyl-N-[1-[3-(2-oxo-1,3-oxazolidin-3-yl)phenyl]ethyl]bicyclo[1.1.0]butane-1-carboxamide?
The canonical SMILES for N-methyl-N-[1-[3-(2-oxo-1,3-oxazolidin-3-yl)phenyl]ethyl]bicyclo[1.1.0]butane-1-carboxamide is CC(c1cccc(N2CCOC2=O)c1)N(C)C(=O)C12CC1C2.
What is the InChIKey of N-methyl-N-[1-[3-(2-oxo-1,3-oxazolidin-3-yl)phenyl]ethyl]bicyclo[1.1.0]butane-1-carboxamide?
The InChIKey is HNBYIBJKMYHAAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O3/c1-11(18(2)15(20)17-9-13(17)10-17)12-4-3-5-14(8-12)19-6-7-22-16(19)21/h3-5,8,11,13H,6-7,9-10H2,1-2H3.
What are the key properties of N-methyl-N-[1-[3-(2-oxo-1,3-oxazolidin-3-yl)phenyl]ethyl]bicyclo[1.1.0]butane-1-carboxamide?
N-methyl-N-[1-[3-(2-oxo-1,3-oxazolidin-3-yl)phenyl]ethyl]bicyclo[1.1.0]butane-1-carboxamide has a molecular weight of 300.36 g/mol, XLogP of 2.57, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[1-[3-(2-oxo-1,3-oxazolidin-3-yl)phenyl]ethyl]bicyclo[1.1.0]butane-1-carboxamide is sourced from PubChem (CID 166427374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).