N-[3-(5,6-dihydro-4H-1,3-oxazine-2-carbonylamino)propyl]-5,6-dihydro-4H-1,3-oxazine-2-carboxamide

C13H20N4O4 — CID 22101621

IUPACN-[3-(5,6-dihydro-4H-1,3-oxazine-2-carbonylamino)propyl]-5,6-dihydro-4H-1,3-oxazine-2-carboxamide
SMILESO=C(NCCCNC(=O)C1=NCCCO1)C1=NCCCO1
InChIInChI=1S/C13H20N4O4/c18-10(12-16-6-2-8-20-12)14-4-1-5-15-11(19)13-17-7-3-9-21-13/h1-9H2,(H,14,18)(H,15,19)
InChIKeyMCKZDTMOLJILFD-UHFFFAOYSA-N
MW296.33 g/mol
LogP-0.75
Rot. Bonds6

About N-[3-(5,6-dihydro-4H-1,3-oxazine-2-carbonylamino)propyl]-5,6-dihydro-4H-1,3-oxazine-2-carboxamide

N-[3-(5,6-dihydro-4H-1,3-oxazine-2-carbonylamino)propyl]-5,6-dihydro-4H-1,3-oxazine-2-carboxamide (PubChem CID 22101621) has the molecular formula C13H20N4O4 and a molecular weight of 296.33 g/mol. Its IUPAC name is N-[3-(5,6-dihydro-4H-1,3-oxazine-2-carbonylamino)propyl]-5,6-dihydro-4H-1,3-oxazine-2-carboxamide.

Molecular Properties

Compound NameN-[3-(5,6-dihydro-4H-1,3-oxazine-2-carbonylamino)propyl]-5,6-dihydro-4H-1,3-oxazine-2-carboxamide
PubChem CID22101621
Molecular FormulaC13H20N4O4
Molecular Weight296.33 g/mol
Exact Mass296.15
IUPAC NameN-[3-(5,6-dihydro-4H-1,3-oxazine-2-carbonylamino)propyl]-5,6-dihydro-4H-1,3-oxazine-2-carboxamide
SMILESO=C(NCCCNC(=O)C1=NCCCO1)C1=NCCCO1
InChIInChI=1S/C13H20N4O4/c18-10(12-16-6-2-8-20-12)14-4-1-5-15-11(19)13-17-7-3-9-21-13/h1-9H2,(H,14,18)(H,15,19)
InChIKeyMCKZDTMOLJILFD-UHFFFAOYSA-N
XLogP-0.75
TPSA101.38 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.33
LogP ≤ 5-0.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

1,8-Dioxa-4,11-diazacyclotetradecane-3,10-dione
CID 23330011
13-Amino-8-oxo-3,10-dioxa-7-azatridecanoyl azide
CID 129789383
N-pentyl-5,6-dihydro-4H-1,3-oxazine-2-carboxamide
CID 20523756
N-butyl-5,6-dihydro-4H-1,3-oxazine-2-carboxamide
CID 20523780
N-ethyl-5,6-dihydro-4H-1,3-oxazine-2-carboxamide
CID 20523794
N-propyl-5,6-dihydro-4H-1,3-oxazine-2-carboxamide
CID 20523829
N-[3-(4,5-dihydro-1,3-oxazole-2-carbonylamino)propyl]-4,5-dihydro-1,3-oxazole-2-carboxamide
CID 22101591
4-methyl-N-[2-[(4-methyl-5,6-dihydro-4H-1,3-oxazine-2-carbonyl)amino]ethyl]-5,6-dihydro-4H-1,3-oxazine-2-carboxamide
CID 22101600
N-[6-(5,6-dihydro-4H-1,3-oxazine-2-carbonylamino)hexyl]-5,6-dihydro-4H-1,3-oxazine-2-carboxamide
CID 22101601
N,N'-(Butane-1,4-diyl)di(4,5-dihydro-1,3-oxazole-2-carboxamide)
CID 22101605
N-[8-(5,6-dihydro-4H-1,3-oxazine-2-carbonylamino)octyl]-5,6-dihydro-4H-1,3-oxazine-2-carboxamide
CID 22101618
N-[10-(5,6-dihydro-4H-1,3-oxazine-2-carbonylamino)decyl]-5,6-dihydro-4H-1,3-oxazine-2-carboxamide
CID 22101620

Frequently Asked Questions

What is the IUPAC name of N-[3-(5,6-dihydro-4H-1,3-oxazine-2-carbonylamino)propyl]-5,6-dihydro-4H-1,3-oxazine-2-carboxamide?
The IUPAC name of N-[3-(5,6-dihydro-4H-1,3-oxazine-2-carbonylamino)propyl]-5,6-dihydro-4H-1,3-oxazine-2-carboxamide (CID 22101621) is N-[3-(5,6-dihydro-4H-1,3-oxazine-2-carbonylamino)propyl]-5,6-dihydro-4H-1,3-oxazine-2-carboxamide.
What is the SMILES notation for N-[3-(5,6-dihydro-4H-1,3-oxazine-2-carbonylamino)propyl]-5,6-dihydro-4H-1,3-oxazine-2-carboxamide?
The canonical SMILES for N-[3-(5,6-dihydro-4H-1,3-oxazine-2-carbonylamino)propyl]-5,6-dihydro-4H-1,3-oxazine-2-carboxamide is O=C(NCCCNC(=O)C1=NCCCO1)C1=NCCCO1.
What is the InChIKey of N-[3-(5,6-dihydro-4H-1,3-oxazine-2-carbonylamino)propyl]-5,6-dihydro-4H-1,3-oxazine-2-carboxamide?
The InChIKey is MCKZDTMOLJILFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N4O4/c18-10(12-16-6-2-8-20-12)14-4-1-5-15-11(19)13-17-7-3-9-21-13/h1-9H2,(H,14,18)(H,15,19).
What are the key properties of N-[3-(5,6-dihydro-4H-1,3-oxazine-2-carbonylamino)propyl]-5,6-dihydro-4H-1,3-oxazine-2-carboxamide?
N-[3-(5,6-dihydro-4H-1,3-oxazine-2-carbonylamino)propyl]-5,6-dihydro-4H-1,3-oxazine-2-carboxamide has a molecular weight of 296.33 g/mol, XLogP of -0.75, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(5,6-dihydro-4H-1,3-oxazine-2-carbonylamino)propyl]-5,6-dihydro-4H-1,3-oxazine-2-carboxamide is sourced from PubChem (CID 22101621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).