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

C9H16N2O2 — CID 20523780

IUPACN-butyl-5,6-dihydro-4H-1,3-oxazine-2-carboxamide
SMILESCCCCNC(=O)C1=NCCCO1
InChIInChI=1S/C9H16N2O2/c1-2-3-5-10-8(12)9-11-6-4-7-13-9/h2-7H2,1H3,(H,10,12)
InChIKeyWSQRTWUAUSATGS-UHFFFAOYSA-N
MW184.24 g/mol
LogP0.72
Rot. Bonds4

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

N-butyl-5,6-dihydro-4H-1,3-oxazine-2-carboxamide (PubChem CID 20523780) has the molecular formula C9H16N2O2 and a molecular weight of 184.24 g/mol. Its IUPAC name is N-butyl-5,6-dihydro-4H-1,3-oxazine-2-carboxamide.

Molecular Properties

Compound NameN-butyl-5,6-dihydro-4H-1,3-oxazine-2-carboxamide
PubChem CID20523780
Molecular FormulaC9H16N2O2
Molecular Weight184.24 g/mol
Exact Mass184.12
IUPAC NameN-butyl-5,6-dihydro-4H-1,3-oxazine-2-carboxamide
SMILESCCCCNC(=O)C1=NCCCO1
InChIInChI=1S/C9H16N2O2/c1-2-3-5-10-8(12)9-11-6-4-7-13-9/h2-7H2,1H3,(H,10,12)
InChIKeyWSQRTWUAUSATGS-UHFFFAOYSA-N
XLogP0.72
TPSA50.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.24
LogP ≤ 50.72
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-[3-(4-aminobutylamino)propyl]-2-methoxyacetamide;hydrochloride
CID 118721810
N-[4-(3-aminopropylamino)butyl]-2-methoxyacetamide;hydrochloride
CID 118721813
1,8-Dioxa-4,11-diazacyclotetradecane-3,10-dione
CID 23330011
N-(4-aminobutyl)-2-methoxyacetamide
CID 61279183
Hexyl diglycolamide
CID 168430100
N-[3-(4-aminobutylamino)propyl]-2-methoxyacetamide
CID 118721811
N-[4-(3-aminopropylamino)butyl]-2-methoxyacetamide
CID 118721814
N-[3-(dimethylamino)propyl]-2-ethoxyacetamide
CID 3312440
N-butyl-2-ethoxyacetamide
CID 4132613
2-ethoxy-N-pentylacetamide
CID 4602072
2,2'-Oxybis(N-propylacetamide)
CID 13126648
N-pentyl-5,6-dihydro-4H-1,3-oxazine-2-carboxamide
CID 20523756

Frequently Asked Questions

What is the IUPAC name of N-butyl-5,6-dihydro-4H-1,3-oxazine-2-carboxamide?
The IUPAC name of N-butyl-5,6-dihydro-4H-1,3-oxazine-2-carboxamide (CID 20523780) is N-butyl-5,6-dihydro-4H-1,3-oxazine-2-carboxamide.
What is the SMILES notation for N-butyl-5,6-dihydro-4H-1,3-oxazine-2-carboxamide?
The canonical SMILES for N-butyl-5,6-dihydro-4H-1,3-oxazine-2-carboxamide is CCCCNC(=O)C1=NCCCO1.
What is the InChIKey of N-butyl-5,6-dihydro-4H-1,3-oxazine-2-carboxamide?
The InChIKey is WSQRTWUAUSATGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N2O2/c1-2-3-5-10-8(12)9-11-6-4-7-13-9/h2-7H2,1H3,(H,10,12).
What are the key properties of N-butyl-5,6-dihydro-4H-1,3-oxazine-2-carboxamide?
N-butyl-5,6-dihydro-4H-1,3-oxazine-2-carboxamide has a molecular weight of 184.24 g/mol, XLogP of 0.72, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-5,6-dihydro-4H-1,3-oxazine-2-carboxamide is sourced from PubChem (CID 20523780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).