N-propan-2-yl-5,6-dihydro-4H-1,3-oxazine-2-carboxamide

C8H14N2O2 — CID 20523776

IUPACN-propan-2-yl-5,6-dihydro-4H-1,3-oxazine-2-carboxamide
SMILESCC(C)NC(=O)C1=NCCCO1
InChIInChI=1S/C8H14N2O2/c1-6(2)10-7(11)8-9-4-3-5-12-8/h6H,3-5H2,1-2H3,(H,10,11)
InChIKeySNJRXRHXFXULEL-UHFFFAOYSA-N
MW170.21 g/mol
LogP0.33
Rot. Bonds2

About N-propan-2-yl-5,6-dihydro-4H-1,3-oxazine-2-carboxamide

N-propan-2-yl-5,6-dihydro-4H-1,3-oxazine-2-carboxamide (PubChem CID 20523776) has the molecular formula C8H14N2O2 and a molecular weight of 170.21 g/mol. Its IUPAC name is N-propan-2-yl-5,6-dihydro-4H-1,3-oxazine-2-carboxamide.

Molecular Properties

Compound NameN-propan-2-yl-5,6-dihydro-4H-1,3-oxazine-2-carboxamide
PubChem CID20523776
Molecular FormulaC8H14N2O2
Molecular Weight170.21 g/mol
Exact Mass170.11
IUPAC NameN-propan-2-yl-5,6-dihydro-4H-1,3-oxazine-2-carboxamide
SMILESCC(C)NC(=O)C1=NCCCO1
InChIInChI=1S/C8H14N2O2/c1-6(2)10-7(11)8-9-4-3-5-12-8/h6H,3-5H2,1-2H3,(H,10,11)
InChIKeySNJRXRHXFXULEL-UHFFFAOYSA-N
XLogP0.33
TPSA50.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.21
LogP ≤ 50.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-propan-2-yl-5,6-dihydro-4H-1,3-oxazine-2-carboxamide?
The IUPAC name of N-propan-2-yl-5,6-dihydro-4H-1,3-oxazine-2-carboxamide (CID 20523776) is N-propan-2-yl-5,6-dihydro-4H-1,3-oxazine-2-carboxamide.
What is the SMILES notation for N-propan-2-yl-5,6-dihydro-4H-1,3-oxazine-2-carboxamide?
The canonical SMILES for N-propan-2-yl-5,6-dihydro-4H-1,3-oxazine-2-carboxamide is CC(C)NC(=O)C1=NCCCO1.
What is the InChIKey of N-propan-2-yl-5,6-dihydro-4H-1,3-oxazine-2-carboxamide?
The InChIKey is SNJRXRHXFXULEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N2O2/c1-6(2)10-7(11)8-9-4-3-5-12-8/h6H,3-5H2,1-2H3,(H,10,11).
What are the key properties of N-propan-2-yl-5,6-dihydro-4H-1,3-oxazine-2-carboxamide?
N-propan-2-yl-5,6-dihydro-4H-1,3-oxazine-2-carboxamide has a molecular weight of 170.21 g/mol, XLogP of 0.33, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-propan-2-yl-5,6-dihydro-4H-1,3-oxazine-2-carboxamide is sourced from PubChem (CID 20523776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).