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

C14H22N4O4 — CID 22101631

IUPACN-[4-(5,6-dihydro-4H-1,3-oxazine-2-carbonylamino)butyl]-5,6-dihydro-4H-1,3-oxazine-2-carboxamide
SMILESO=C(NCCCCNC(=O)C1=NCCCO1)C1=NCCCO1
InChIInChI=1S/C14H22N4O4/c19-11(13-17-7-3-9-21-13)15-5-1-2-6-16-12(20)14-18-8-4-10-22-14/h1-10H2,(H,15,19)(H,16,20)
InChIKeyWNWSUNDRZFXZAV-UHFFFAOYSA-N
MW310.35 g/mol
LogP-0.36
Rot. Bonds7

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

N-[4-(5,6-dihydro-4H-1,3-oxazine-2-carbonylamino)butyl]-5,6-dihydro-4H-1,3-oxazine-2-carboxamide (PubChem CID 22101631) has the molecular formula C14H22N4O4 and a molecular weight of 310.35 g/mol. Its IUPAC name is N-[4-(5,6-dihydro-4H-1,3-oxazine-2-carbonylamino)butyl]-5,6-dihydro-4H-1,3-oxazine-2-carboxamide.

Molecular Properties

Compound NameN-[4-(5,6-dihydro-4H-1,3-oxazine-2-carbonylamino)butyl]-5,6-dihydro-4H-1,3-oxazine-2-carboxamide
PubChem CID22101631
Molecular FormulaC14H22N4O4
Molecular Weight310.35 g/mol
Exact Mass310.16
IUPAC NameN-[4-(5,6-dihydro-4H-1,3-oxazine-2-carbonylamino)butyl]-5,6-dihydro-4H-1,3-oxazine-2-carboxamide
SMILESO=C(NCCCCNC(=O)C1=NCCCO1)C1=NCCCO1
InChIInChI=1S/C14H22N4O4/c19-11(13-17-7-3-9-21-13)15-5-1-2-6-16-12(20)14-18-8-4-10-22-14/h1-10H2,(H,15,19)(H,16,20)
InChIKeyWNWSUNDRZFXZAV-UHFFFAOYSA-N
XLogP-0.36
TPSA101.38 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.35
LogP ≤ 5-0.36
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,Na(2)-1,6-Hexanediylbis[4,5-dihydro-2-oxazolecarboxamide]
CID 18347274
N-pentyl-5,6-dihydro-4H-1,3-oxazine-2-carboxamide
CID 20523756
N-hexyl-5,6-dihydro-4H-1,3-oxazine-2-carboxamide
CID 20523758
N-butyl-5,6-dihydro-4H-1,3-oxazine-2-carboxamide
CID 20523780
N-butyl-4,5-dihydro-1,3-oxazole-2-carboxamide
CID 20523781
N-ethyl-5,6-dihydro-4H-1,3-oxazine-2-carboxamide
CID 20523794
N-octyl-5,6-dihydro-4H-1,3-oxazine-2-carboxamide
CID 20523797
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

Frequently Asked Questions

What is the IUPAC name of N-[4-(5,6-dihydro-4H-1,3-oxazine-2-carbonylamino)butyl]-5,6-dihydro-4H-1,3-oxazine-2-carboxamide?
The IUPAC name of N-[4-(5,6-dihydro-4H-1,3-oxazine-2-carbonylamino)butyl]-5,6-dihydro-4H-1,3-oxazine-2-carboxamide (CID 22101631) is N-[4-(5,6-dihydro-4H-1,3-oxazine-2-carbonylamino)butyl]-5,6-dihydro-4H-1,3-oxazine-2-carboxamide.
What is the SMILES notation for N-[4-(5,6-dihydro-4H-1,3-oxazine-2-carbonylamino)butyl]-5,6-dihydro-4H-1,3-oxazine-2-carboxamide?
The canonical SMILES for N-[4-(5,6-dihydro-4H-1,3-oxazine-2-carbonylamino)butyl]-5,6-dihydro-4H-1,3-oxazine-2-carboxamide is O=C(NCCCCNC(=O)C1=NCCCO1)C1=NCCCO1.
What is the InChIKey of N-[4-(5,6-dihydro-4H-1,3-oxazine-2-carbonylamino)butyl]-5,6-dihydro-4H-1,3-oxazine-2-carboxamide?
The InChIKey is WNWSUNDRZFXZAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N4O4/c19-11(13-17-7-3-9-21-13)15-5-1-2-6-16-12(20)14-18-8-4-10-22-14/h1-10H2,(H,15,19)(H,16,20).
What are the key properties of N-[4-(5,6-dihydro-4H-1,3-oxazine-2-carbonylamino)butyl]-5,6-dihydro-4H-1,3-oxazine-2-carboxamide?
N-[4-(5,6-dihydro-4H-1,3-oxazine-2-carbonylamino)butyl]-5,6-dihydro-4H-1,3-oxazine-2-carboxamide has a molecular weight of 310.35 g/mol, XLogP of -0.36, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(5,6-dihydro-4H-1,3-oxazine-2-carbonylamino)butyl]-5,6-dihydro-4H-1,3-oxazine-2-carboxamide is sourced from PubChem (CID 22101631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).