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

C15H19N3O2 — CID 66266207

IUPACN-[(4-cyanophenyl)methyl]-N-methyl-4-(methylamino)oxolane-3-carboxamide
SMILESCNC1COCC1C(=O)N(C)Cc1ccc(C#N)cc1
InChIInChI=1S/C15H19N3O2/c1-17-14-10-20-9-13(14)15(19)18(2)8-12-5-3-11(7-16)4-6-12/h3-6,13-14,17H,8-10H2,1-2H3
InChIKeyPZOALTFJIMJLTN-UHFFFAOYSA-N
MW273.34 g/mol
LogP0.75
Rot. Bonds4

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

N-[(4-cyanophenyl)methyl]-N-methyl-4-(methylamino)oxolane-3-carboxamide (PubChem CID 66266207) has the molecular formula C15H19N3O2 and a molecular weight of 273.34 g/mol. Its IUPAC name is N-[(4-cyanophenyl)methyl]-N-methyl-4-(methylamino)oxolane-3-carboxamide.

Molecular Properties

Compound NameN-[(4-cyanophenyl)methyl]-N-methyl-4-(methylamino)oxolane-3-carboxamide
PubChem CID66266207
Molecular FormulaC15H19N3O2
Molecular Weight273.34 g/mol
Exact Mass273.15
IUPAC NameN-[(4-cyanophenyl)methyl]-N-methyl-4-(methylamino)oxolane-3-carboxamide
SMILESCNC1COCC1C(=O)N(C)Cc1ccc(C#N)cc1
InChIInChI=1S/C15H19N3O2/c1-17-14-10-20-9-13(14)15(19)18(2)8-12-5-3-11(7-16)4-6-12/h3-6,13-14,17H,8-10H2,1-2H3
InChIKeyPZOALTFJIMJLTN-UHFFFAOYSA-N
XLogP0.75
TPSA65.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.34
LogP ≤ 50.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(4-chlorophenyl)methyl]-N-methyl-4-(methylamino)oxolane-3-carboxamide
CID 66267194
N-[(4-bromophenyl)methyl]-N-methyl-4-(methylamino)oxolane-3-carboxamide
CID 66266005
N-methyl-4-(methylamino)-N-(thiophen-3-ylmethyl)oxolane-3-carboxamide
CID 66265185
4-(ethylamino)-N-[(4-ethylphenyl)methyl]-N-methyloxolane-3-carboxamide
CID 66259629
N-(4-cyanophenyl)-4-(methylamino)oxolane-3-carboxamide
CID 66265960
N-[(3-methoxyphenyl)methyl]-N-methyl-4-(methylamino)oxolane-3-carboxamide
CID 66265607
N-[(5-bromothiophen-3-yl)methyl]-N-methyl-4-(methylamino)oxolane-3-carboxamide
CID 66266835
N-[(4-bromophenyl)methyl]-4-(ethylamino)-N-methyloxolane-3-carboxamide
CID 66258296
N-methyl-4-(methylamino)-N-(2-phenylethyl)oxolane-3-carboxamide
CID 66264836
N-(4-ethylphenyl)-N-methyl-4-(methylamino)oxolane-3-carboxamide
CID 66265259
N-[(4-cyanophenyl)methyl]-4-hydroxy-N-methylpyrrolidine-2-carboxamide
CID 54871079
N-[(4-bromothiophen-2-yl)methyl]-N-methyl-4-(methylamino)oxolane-3-carboxamide
CID 66267002

Frequently Asked Questions

What is the IUPAC name of N-[(4-cyanophenyl)methyl]-N-methyl-4-(methylamino)oxolane-3-carboxamide?
The IUPAC name of N-[(4-cyanophenyl)methyl]-N-methyl-4-(methylamino)oxolane-3-carboxamide (CID 66266207) is N-[(4-cyanophenyl)methyl]-N-methyl-4-(methylamino)oxolane-3-carboxamide.
What is the SMILES notation for N-[(4-cyanophenyl)methyl]-N-methyl-4-(methylamino)oxolane-3-carboxamide?
The canonical SMILES for N-[(4-cyanophenyl)methyl]-N-methyl-4-(methylamino)oxolane-3-carboxamide is CNC1COCC1C(=O)N(C)Cc1ccc(C#N)cc1.
What is the InChIKey of N-[(4-cyanophenyl)methyl]-N-methyl-4-(methylamino)oxolane-3-carboxamide?
The InChIKey is PZOALTFJIMJLTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O2/c1-17-14-10-20-9-13(14)15(19)18(2)8-12-5-3-11(7-16)4-6-12/h3-6,13-14,17H,8-10H2,1-2H3.
What are the key properties of N-[(4-cyanophenyl)methyl]-N-methyl-4-(methylamino)oxolane-3-carboxamide?
N-[(4-cyanophenyl)methyl]-N-methyl-4-(methylamino)oxolane-3-carboxamide has a molecular weight of 273.34 g/mol, XLogP of 0.75, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-cyanophenyl)methyl]-N-methyl-4-(methylamino)oxolane-3-carboxamide is sourced from PubChem (CID 66266207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).