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

C16H26N4O4 — CID 22101601

IUPACN-[6-(5,6-dihydro-4H-1,3-oxazine-2-carbonylamino)hexyl]-5,6-dihydro-4H-1,3-oxazine-2-carboxamide
SMILESO=C(NCCCCCCNC(=O)C1=NCCCO1)C1=NCCCO1
InChIInChI=1S/C16H26N4O4/c21-13(15-19-9-5-11-23-15)17-7-3-1-2-4-8-18-14(22)16-20-10-6-12-24-16/h1-12H2,(H,17,21)(H,18,22)
InChIKeyAPYKEROCLSDDMP-UHFFFAOYSA-N
MW338.41 g/mol
LogP0.42
Rot. Bonds9

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

N-[6-(5,6-dihydro-4H-1,3-oxazine-2-carbonylamino)hexyl]-5,6-dihydro-4H-1,3-oxazine-2-carboxamide (PubChem CID 22101601) has the molecular formula C16H26N4O4 and a molecular weight of 338.41 g/mol. Its IUPAC name is N-[6-(5,6-dihydro-4H-1,3-oxazine-2-carbonylamino)hexyl]-5,6-dihydro-4H-1,3-oxazine-2-carboxamide.

Molecular Properties

Compound NameN-[6-(5,6-dihydro-4H-1,3-oxazine-2-carbonylamino)hexyl]-5,6-dihydro-4H-1,3-oxazine-2-carboxamide
PubChem CID22101601
Molecular FormulaC16H26N4O4
Molecular Weight338.41 g/mol
Exact Mass338.20
IUPAC NameN-[6-(5,6-dihydro-4H-1,3-oxazine-2-carbonylamino)hexyl]-5,6-dihydro-4H-1,3-oxazine-2-carboxamide
SMILESO=C(NCCCCCCNC(=O)C1=NCCCO1)C1=NCCCO1
InChIInChI=1S/C16H26N4O4/c21-13(15-19-9-5-11-23-15)17-7-3-1-2-4-8-18-14(22)16-20-10-6-12-24-16/h1-12H2,(H,17,21)(H,18,22)
InChIKeyAPYKEROCLSDDMP-UHFFFAOYSA-N
XLogP0.42
TPSA101.38 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.41
LogP ≤ 50.42
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

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-cyclohexyl-4,5-dihydro-1,3-oxazole-2-carboxamide
CID 20523762
N-hexyl-4,5-dihydro-1,3-oxazole-2-carboxamide
CID 20523773
N-butyl-5,6-dihydro-4H-1,3-oxazine-2-carboxamide
CID 20523780
N-pentyl-4,5-dihydro-1,3-oxazole-2-carboxamide
CID 20523784
N-octyl-5,6-dihydro-4H-1,3-oxazine-2-carboxamide
CID 20523797
N-[10-(4,5-dihydro-1,3-oxazole-2-carbonylamino)decyl]-4,5-dihydro-1,3-oxazole-2-carboxamide
CID 22101593
N-[6-[(4,4-dimethyl-5,6-dihydro-1,3-oxazine-2-carbonyl)amino]hexyl]-4,4-dimethyl-5,6-dihydro-1,3-oxazine-2-carboxamide
CID 22101599
N,N'-(Butane-1,4-diyl)di(4,5-dihydro-1,3-oxazole-2-carboxamide)
CID 22101605
N-[8-(4,5-dihydro-1,3-oxazole-2-carbonylamino)octyl]-4,5-dihydro-1,3-oxazole-2-carboxamide
CID 22101608

Frequently Asked Questions

What is the IUPAC name of N-[6-(5,6-dihydro-4H-1,3-oxazine-2-carbonylamino)hexyl]-5,6-dihydro-4H-1,3-oxazine-2-carboxamide?
The IUPAC name of N-[6-(5,6-dihydro-4H-1,3-oxazine-2-carbonylamino)hexyl]-5,6-dihydro-4H-1,3-oxazine-2-carboxamide (CID 22101601) is N-[6-(5,6-dihydro-4H-1,3-oxazine-2-carbonylamino)hexyl]-5,6-dihydro-4H-1,3-oxazine-2-carboxamide.
What is the SMILES notation for N-[6-(5,6-dihydro-4H-1,3-oxazine-2-carbonylamino)hexyl]-5,6-dihydro-4H-1,3-oxazine-2-carboxamide?
The canonical SMILES for N-[6-(5,6-dihydro-4H-1,3-oxazine-2-carbonylamino)hexyl]-5,6-dihydro-4H-1,3-oxazine-2-carboxamide is O=C(NCCCCCCNC(=O)C1=NCCCO1)C1=NCCCO1.
What is the InChIKey of N-[6-(5,6-dihydro-4H-1,3-oxazine-2-carbonylamino)hexyl]-5,6-dihydro-4H-1,3-oxazine-2-carboxamide?
The InChIKey is APYKEROCLSDDMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N4O4/c21-13(15-19-9-5-11-23-15)17-7-3-1-2-4-8-18-14(22)16-20-10-6-12-24-16/h1-12H2,(H,17,21)(H,18,22).
What are the key properties of N-[6-(5,6-dihydro-4H-1,3-oxazine-2-carbonylamino)hexyl]-5,6-dihydro-4H-1,3-oxazine-2-carboxamide?
N-[6-(5,6-dihydro-4H-1,3-oxazine-2-carbonylamino)hexyl]-5,6-dihydro-4H-1,3-oxazine-2-carboxamide has a molecular weight of 338.41 g/mol, XLogP of 0.42, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-(5,6-dihydro-4H-1,3-oxazine-2-carbonylamino)hexyl]-5,6-dihydro-4H-1,3-oxazine-2-carboxamide is sourced from PubChem (CID 22101601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).