N-[3-(5-amino-3-methyl-2,6-dihydro-1,4-oxazin-3-yl)phenyl]cyclohexanecarboxamide

C18H25N3O2 — CID 58118860

IUPACN-[3-(5-amino-3-methyl-2,6-dihydro-1,4-oxazin-3-yl)phenyl]cyclohexanecarboxamide
SMILESCC1(c2cccc(NC(=O)C3CCCCC3)c2)COCC(N)=N1
InChIInChI=1S/C18H25N3O2/c1-18(12-23-11-16(19)21-18)14-8-5-9-15(10-14)20-17(22)13-6-3-2-4-7-13/h5,8-10,13H,2-4,6-7,11-12H2,1H3,(H2,19,21)(H,20,22)
InChIKeyPDHHJYGLWOXDCA-UHFFFAOYSA-N
MW315.42 g/mol
LogP2.81
Rot. Bonds3

About N-[3-(5-amino-3-methyl-2,6-dihydro-1,4-oxazin-3-yl)phenyl]cyclohexanecarboxamide

N-[3-(5-amino-3-methyl-2,6-dihydro-1,4-oxazin-3-yl)phenyl]cyclohexanecarboxamide (PubChem CID 58118860) has the molecular formula C18H25N3O2 and a molecular weight of 315.42 g/mol. Its IUPAC name is N-[3-(5-amino-3-methyl-2,6-dihydro-1,4-oxazin-3-yl)phenyl]cyclohexanecarboxamide.

Molecular Properties

Compound NameN-[3-(5-amino-3-methyl-2,6-dihydro-1,4-oxazin-3-yl)phenyl]cyclohexanecarboxamide
PubChem CID58118860
Molecular FormulaC18H25N3O2
Molecular Weight315.42 g/mol
Exact Mass315.19
IUPAC NameN-[3-(5-amino-3-methyl-2,6-dihydro-1,4-oxazin-3-yl)phenyl]cyclohexanecarboxamide
SMILESCC1(c2cccc(NC(=O)C3CCCCC3)c2)COCC(N)=N1
InChIInChI=1S/C18H25N3O2/c1-18(12-23-11-16(19)21-18)14-8-5-9-15(10-14)20-17(22)13-6-3-2-4-7-13/h5,8-10,13H,2-4,6-7,11-12H2,1H3,(H2,19,21)(H,20,22)
InChIKeyPDHHJYGLWOXDCA-UHFFFAOYSA-N
XLogP2.81
TPSA76.71 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.42
LogP ≤ 52.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[3-(5-amino-3-methyl-2,6-dihydro-1,4-oxazin-3-yl)phenyl]cyclohexanecarboxamide?
The IUPAC name of N-[3-(5-amino-3-methyl-2,6-dihydro-1,4-oxazin-3-yl)phenyl]cyclohexanecarboxamide (CID 58118860) is N-[3-(5-amino-3-methyl-2,6-dihydro-1,4-oxazin-3-yl)phenyl]cyclohexanecarboxamide.
What is the SMILES notation for N-[3-(5-amino-3-methyl-2,6-dihydro-1,4-oxazin-3-yl)phenyl]cyclohexanecarboxamide?
The canonical SMILES for N-[3-(5-amino-3-methyl-2,6-dihydro-1,4-oxazin-3-yl)phenyl]cyclohexanecarboxamide is CC1(c2cccc(NC(=O)C3CCCCC3)c2)COCC(N)=N1.
What is the InChIKey of N-[3-(5-amino-3-methyl-2,6-dihydro-1,4-oxazin-3-yl)phenyl]cyclohexanecarboxamide?
The InChIKey is PDHHJYGLWOXDCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N3O2/c1-18(12-23-11-16(19)21-18)14-8-5-9-15(10-14)20-17(22)13-6-3-2-4-7-13/h5,8-10,13H,2-4,6-7,11-12H2,1H3,(H2,19,21)(H,20,22).
What are the key properties of N-[3-(5-amino-3-methyl-2,6-dihydro-1,4-oxazin-3-yl)phenyl]cyclohexanecarboxamide?
N-[3-(5-amino-3-methyl-2,6-dihydro-1,4-oxazin-3-yl)phenyl]cyclohexanecarboxamide has a molecular weight of 315.42 g/mol, XLogP of 2.81, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(5-amino-3-methyl-2,6-dihydro-1,4-oxazin-3-yl)phenyl]cyclohexanecarboxamide is sourced from PubChem (CID 58118860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).