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

C10H18N2O2 — CID 20523756

IUPACN-pentyl-5,6-dihydro-4H-1,3-oxazine-2-carboxamide
SMILESCCCCCNC(=O)C1=NCCCO1
InChIInChI=1S/C10H18N2O2/c1-2-3-4-6-11-9(13)10-12-7-5-8-14-10/h2-8H2,1H3,(H,11,13)
InChIKeyMVUJEVJGBCCBBK-UHFFFAOYSA-N
MW198.27 g/mol
LogP1.11
Rot. Bonds5

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

N-pentyl-5,6-dihydro-4H-1,3-oxazine-2-carboxamide (PubChem CID 20523756) has the molecular formula C10H18N2O2 and a molecular weight of 198.27 g/mol. Its IUPAC name is N-pentyl-5,6-dihydro-4H-1,3-oxazine-2-carboxamide.

Molecular Properties

Compound NameN-pentyl-5,6-dihydro-4H-1,3-oxazine-2-carboxamide
PubChem CID20523756
Molecular FormulaC10H18N2O2
Molecular Weight198.27 g/mol
Exact Mass198.14
IUPAC NameN-pentyl-5,6-dihydro-4H-1,3-oxazine-2-carboxamide
SMILESCCCCCNC(=O)C1=NCCCO1
InChIInChI=1S/C10H18N2O2/c1-2-3-4-6-11-9(13)10-12-7-5-8-14-10/h2-8H2,1H3,(H,11,13)
InChIKeyMVUJEVJGBCCBBK-UHFFFAOYSA-N
XLogP1.11
TPSA50.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.27
LogP ≤ 51.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-Ethyl-2-(4-piperidinyloxy)acetamide
CID 20298099
N-hexyl-2-methoxyacetamide
CID 60671004
N'-decyl-3-oxapentane-1,5-diamide
CID 87580811
n-Octyl diglycolamide
CID 129831471
2,2'-Oxybis(N-hexylacetamide)
CID 15787992
Hexyl diglycolamide
CID 168430100
N-butyl-2-ethoxyacetamide
CID 4132613
2-ethoxy-N-pentylacetamide
CID 4602072
2-ethoxy-N-heptylacetamide
CID 4616582
2-ethoxy-N-hexylacetamide
CID 5161828
2,2'-Oxybis(N-propylacetamide)
CID 13126648
N-Methyl-2-(piperidin-4-yloxy)acetamide
CID 18337222

Frequently Asked Questions

What is the IUPAC name of N-pentyl-5,6-dihydro-4H-1,3-oxazine-2-carboxamide?
The IUPAC name of N-pentyl-5,6-dihydro-4H-1,3-oxazine-2-carboxamide (CID 20523756) is N-pentyl-5,6-dihydro-4H-1,3-oxazine-2-carboxamide.
What is the SMILES notation for N-pentyl-5,6-dihydro-4H-1,3-oxazine-2-carboxamide?
The canonical SMILES for N-pentyl-5,6-dihydro-4H-1,3-oxazine-2-carboxamide is CCCCCNC(=O)C1=NCCCO1.
What is the InChIKey of N-pentyl-5,6-dihydro-4H-1,3-oxazine-2-carboxamide?
The InChIKey is MVUJEVJGBCCBBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2O2/c1-2-3-4-6-11-9(13)10-12-7-5-8-14-10/h2-8H2,1H3,(H,11,13).
What are the key properties of N-pentyl-5,6-dihydro-4H-1,3-oxazine-2-carboxamide?
N-pentyl-5,6-dihydro-4H-1,3-oxazine-2-carboxamide has a molecular weight of 198.27 g/mol, XLogP of 1.11, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-pentyl-5,6-dihydro-4H-1,3-oxazine-2-carboxamide is sourced from PubChem (CID 20523756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).