N-methyl-3-(2-oxo-1,3-oxazinan-3-yl)-N-phenylpropanamide

C14H18N2O3 — CID 110856938

IUPACN-methyl-3-(2-oxo-1,3-oxazinan-3-yl)-N-phenylpropanamide
SMILESCN(C(=O)CCN1CCCOC1=O)c1ccccc1
InChIInChI=1S/C14H18N2O3/c1-15(12-6-3-2-4-7-12)13(17)8-10-16-9-5-11-19-14(16)18/h2-4,6-7H,5,8-11H2,1H3
InChIKeyMMTBMQFWMDQMEW-UHFFFAOYSA-N
MW262.31 g/mol
LogP1.88
Rot. Bonds4

About N-methyl-3-(2-oxo-1,3-oxazinan-3-yl)-N-phenylpropanamide

N-methyl-3-(2-oxo-1,3-oxazinan-3-yl)-N-phenylpropanamide (PubChem CID 110856938) has the molecular formula C14H18N2O3 and a molecular weight of 262.31 g/mol. Its IUPAC name is N-methyl-3-(2-oxo-1,3-oxazinan-3-yl)-N-phenylpropanamide.

Molecular Properties

Compound NameN-methyl-3-(2-oxo-1,3-oxazinan-3-yl)-N-phenylpropanamide
PubChem CID110856938
Molecular FormulaC14H18N2O3
Molecular Weight262.31 g/mol
Exact Mass262.13
IUPAC NameN-methyl-3-(2-oxo-1,3-oxazinan-3-yl)-N-phenylpropanamide
SMILESCN(C(=O)CCN1CCCOC1=O)c1ccccc1
InChIInChI=1S/C14H18N2O3/c1-15(12-6-3-2-4-7-12)13(17)8-10-16-9-5-11-19-14(16)18/h2-4,6-7H,5,8-11H2,1H3
InChIKeyMMTBMQFWMDQMEW-UHFFFAOYSA-N
XLogP1.88
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.31
LogP ≤ 51.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

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3-[3-[4-(2-fluorophenyl)piperazin-1-yl]-3-oxopropyl]-1,3-oxazinan-2-one
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Frequently Asked Questions

What is the IUPAC name of N-methyl-3-(2-oxo-1,3-oxazinan-3-yl)-N-phenylpropanamide?
The IUPAC name of N-methyl-3-(2-oxo-1,3-oxazinan-3-yl)-N-phenylpropanamide (CID 110856938) is N-methyl-3-(2-oxo-1,3-oxazinan-3-yl)-N-phenylpropanamide.
What is the SMILES notation for N-methyl-3-(2-oxo-1,3-oxazinan-3-yl)-N-phenylpropanamide?
The canonical SMILES for N-methyl-3-(2-oxo-1,3-oxazinan-3-yl)-N-phenylpropanamide is CN(C(=O)CCN1CCCOC1=O)c1ccccc1.
What is the InChIKey of N-methyl-3-(2-oxo-1,3-oxazinan-3-yl)-N-phenylpropanamide?
The InChIKey is MMTBMQFWMDQMEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O3/c1-15(12-6-3-2-4-7-12)13(17)8-10-16-9-5-11-19-14(16)18/h2-4,6-7H,5,8-11H2,1H3.
What are the key properties of N-methyl-3-(2-oxo-1,3-oxazinan-3-yl)-N-phenylpropanamide?
N-methyl-3-(2-oxo-1,3-oxazinan-3-yl)-N-phenylpropanamide has a molecular weight of 262.31 g/mol, XLogP of 1.88, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-3-(2-oxo-1,3-oxazinan-3-yl)-N-phenylpropanamide is sourced from PubChem (CID 110856938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).