N-[8-(5,6-dihydro-4H-1,3-oxazine-2-carbonylamino)octyl]-5,6-dihydro-4H-1,3-oxazine-2-carboxamide

C18H30N4O4 — CID 22101618

IUPACN-[8-(5,6-dihydro-4H-1,3-oxazine-2-carbonylamino)octyl]-5,6-dihydro-4H-1,3-oxazine-2-carboxamide
SMILESO=C(NCCCCCCCCNC(=O)C1=NCCCO1)C1=NCCCO1
InChIInChI=1S/C18H30N4O4/c23-15(17-21-11-7-13-25-17)19-9-5-3-1-2-4-6-10-20-16(24)18-22-12-8-14-26-18/h1-14H2,(H,19,23)(H,20,24)
InChIKeyVCVXMPJOOLGDPV-UHFFFAOYSA-N
MW366.46 g/mol
LogP1.20
Rot. Bonds11

About N-[8-(5,6-dihydro-4H-1,3-oxazine-2-carbonylamino)octyl]-5,6-dihydro-4H-1,3-oxazine-2-carboxamide

N-[8-(5,6-dihydro-4H-1,3-oxazine-2-carbonylamino)octyl]-5,6-dihydro-4H-1,3-oxazine-2-carboxamide (PubChem CID 22101618) has the molecular formula C18H30N4O4 and a molecular weight of 366.46 g/mol. Its IUPAC name is N-[8-(5,6-dihydro-4H-1,3-oxazine-2-carbonylamino)octyl]-5,6-dihydro-4H-1,3-oxazine-2-carboxamide.

Molecular Properties

Compound NameN-[8-(5,6-dihydro-4H-1,3-oxazine-2-carbonylamino)octyl]-5,6-dihydro-4H-1,3-oxazine-2-carboxamide
PubChem CID22101618
Molecular FormulaC18H30N4O4
Molecular Weight366.46 g/mol
Exact Mass366.23
IUPAC NameN-[8-(5,6-dihydro-4H-1,3-oxazine-2-carbonylamino)octyl]-5,6-dihydro-4H-1,3-oxazine-2-carboxamide
SMILESO=C(NCCCCCCCCNC(=O)C1=NCCCO1)C1=NCCCO1
InChIInChI=1S/C18H30N4O4/c23-15(17-21-11-7-13-25-17)19-9-5-3-1-2-4-6-10-20-16(24)18-22-12-8-14-26-18/h1-14H2,(H,19,23)(H,20,24)
InChIKeyVCVXMPJOOLGDPV-UHFFFAOYSA-N
XLogP1.20
TPSA101.38 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.46
LogP ≤ 51.20
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-octyl-5,6-dihydro-4H-1,3-oxazine-2-carboxamide
CID 20523797
N-octyl-4,5-dihydro-1,3-oxazole-2-carboxamide
CID 20523802
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-[6-(5,6-dihydro-4H-1,3-oxazine-2-carbonylamino)hexyl]-5,6-dihydro-4H-1,3-oxazine-2-carboxamide
CID 22101601
N-[8-(4,5-dihydro-1,3-oxazole-2-carbonylamino)octyl]-4,5-dihydro-1,3-oxazole-2-carboxamide
CID 22101608
N-[10-(5,6-dihydro-4H-1,3-oxazine-2-carbonylamino)decyl]-5,6-dihydro-4H-1,3-oxazine-2-carboxamide
CID 22101620
N-[3-(5,6-dihydro-4H-1,3-oxazine-2-carbonylamino)propyl]-5,6-dihydro-4H-1,3-oxazine-2-carboxamide
CID 22101621
N-[4-(5,6-dihydro-4H-1,3-oxazine-2-carbonylamino)butyl]-5,6-dihydro-4H-1,3-oxazine-2-carboxamide
CID 22101631

Frequently Asked Questions

What is the IUPAC name of N-[8-(5,6-dihydro-4H-1,3-oxazine-2-carbonylamino)octyl]-5,6-dihydro-4H-1,3-oxazine-2-carboxamide?
The IUPAC name of N-[8-(5,6-dihydro-4H-1,3-oxazine-2-carbonylamino)octyl]-5,6-dihydro-4H-1,3-oxazine-2-carboxamide (CID 22101618) is N-[8-(5,6-dihydro-4H-1,3-oxazine-2-carbonylamino)octyl]-5,6-dihydro-4H-1,3-oxazine-2-carboxamide.
What is the SMILES notation for N-[8-(5,6-dihydro-4H-1,3-oxazine-2-carbonylamino)octyl]-5,6-dihydro-4H-1,3-oxazine-2-carboxamide?
The canonical SMILES for N-[8-(5,6-dihydro-4H-1,3-oxazine-2-carbonylamino)octyl]-5,6-dihydro-4H-1,3-oxazine-2-carboxamide is O=C(NCCCCCCCCNC(=O)C1=NCCCO1)C1=NCCCO1.
What is the InChIKey of N-[8-(5,6-dihydro-4H-1,3-oxazine-2-carbonylamino)octyl]-5,6-dihydro-4H-1,3-oxazine-2-carboxamide?
The InChIKey is VCVXMPJOOLGDPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30N4O4/c23-15(17-21-11-7-13-25-17)19-9-5-3-1-2-4-6-10-20-16(24)18-22-12-8-14-26-18/h1-14H2,(H,19,23)(H,20,24).
What are the key properties of N-[8-(5,6-dihydro-4H-1,3-oxazine-2-carbonylamino)octyl]-5,6-dihydro-4H-1,3-oxazine-2-carboxamide?
N-[8-(5,6-dihydro-4H-1,3-oxazine-2-carbonylamino)octyl]-5,6-dihydro-4H-1,3-oxazine-2-carboxamide has a molecular weight of 366.46 g/mol, XLogP of 1.20, 11 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[8-(5,6-dihydro-4H-1,3-oxazine-2-carbonylamino)octyl]-5,6-dihydro-4H-1,3-oxazine-2-carboxamide is sourced from PubChem (CID 22101618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).