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

C12H18N4O4 — CID 22101622

IUPACN-[2-(5,6-dihydro-4H-1,3-oxazine-2-carbonylamino)ethyl]-5,6-dihydro-4H-1,3-oxazine-2-carboxamide
SMILESO=C(NCCNC(=O)C1=NCCCO1)C1=NCCCO1
InChIInChI=1S/C12H18N4O4/c17-9(11-15-3-1-7-19-11)13-5-6-14-10(18)12-16-4-2-8-20-12/h1-8H2,(H,13,17)(H,14,18)
InChIKeyFMQYBKXRQVBZEX-UHFFFAOYSA-N
MW282.30 g/mol
LogP-1.14
Rot. Bonds5

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

N-[2-(5,6-dihydro-4H-1,3-oxazine-2-carbonylamino)ethyl]-5,6-dihydro-4H-1,3-oxazine-2-carboxamide (PubChem CID 22101622) has the molecular formula C12H18N4O4 and a molecular weight of 282.30 g/mol. Its IUPAC name is N-[2-(5,6-dihydro-4H-1,3-oxazine-2-carbonylamino)ethyl]-5,6-dihydro-4H-1,3-oxazine-2-carboxamide.

Molecular Properties

Compound NameN-[2-(5,6-dihydro-4H-1,3-oxazine-2-carbonylamino)ethyl]-5,6-dihydro-4H-1,3-oxazine-2-carboxamide
PubChem CID22101622
Molecular FormulaC12H18N4O4
Molecular Weight282.30 g/mol
Exact Mass282.13
IUPAC NameN-[2-(5,6-dihydro-4H-1,3-oxazine-2-carbonylamino)ethyl]-5,6-dihydro-4H-1,3-oxazine-2-carboxamide
SMILESO=C(NCCNC(=O)C1=NCCCO1)C1=NCCCO1
InChIInChI=1S/C12H18N4O4/c17-9(11-15-3-1-7-19-11)13-5-6-14-10(18)12-16-4-2-8-20-12/h1-8H2,(H,13,17)(H,14,18)
InChIKeyFMQYBKXRQVBZEX-UHFFFAOYSA-N
XLogP-1.14
TPSA101.38 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.30
LogP ≤ 5-1.14
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-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
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
4-methyl-N-[2-[(4-methyl-4,5-dihydro-1,3-oxazole-2-carbonyl)amino]ethyl]-4,5-dihydro-1,3-oxazole-2-carboxamide
CID 22101616
N-[3-(5,6-dihydro-4H-1,3-oxazine-2-carbonylamino)propyl]-5,6-dihydro-4H-1,3-oxazine-2-carboxamide
CID 22101621
N-[2-(4,5-dihydro-1,3-oxazole-2-carbonylamino)ethyl]-4,5-dihydro-1,3-oxazole-2-carboxamide
CID 22101629
N-[4-(5,6-dihydro-4H-1,3-oxazine-2-carbonylamino)butyl]-5,6-dihydro-4H-1,3-oxazine-2-carboxamide
CID 22101631
6-methyl-N-[2-[(6-methyl-5,6-dihydro-4H-1,3-oxazine-2-carbonyl)amino]ethyl]-5,6-dihydro-4H-1,3-oxazine-2-carboxamide
CID 67764363
1-Oxa-4,7,10,13-tetraazacyclopentadecane-3,14-dione
CID 12342757
1-Oxa-4,7,10,13,16-pentaazacyclooctadecane-3,17-dione
CID 12342758

Frequently Asked Questions

What is the IUPAC name of N-[2-(5,6-dihydro-4H-1,3-oxazine-2-carbonylamino)ethyl]-5,6-dihydro-4H-1,3-oxazine-2-carboxamide?
The IUPAC name of N-[2-(5,6-dihydro-4H-1,3-oxazine-2-carbonylamino)ethyl]-5,6-dihydro-4H-1,3-oxazine-2-carboxamide (CID 22101622) is N-[2-(5,6-dihydro-4H-1,3-oxazine-2-carbonylamino)ethyl]-5,6-dihydro-4H-1,3-oxazine-2-carboxamide.
What is the SMILES notation for N-[2-(5,6-dihydro-4H-1,3-oxazine-2-carbonylamino)ethyl]-5,6-dihydro-4H-1,3-oxazine-2-carboxamide?
The canonical SMILES for N-[2-(5,6-dihydro-4H-1,3-oxazine-2-carbonylamino)ethyl]-5,6-dihydro-4H-1,3-oxazine-2-carboxamide is O=C(NCCNC(=O)C1=NCCCO1)C1=NCCCO1.
What is the InChIKey of N-[2-(5,6-dihydro-4H-1,3-oxazine-2-carbonylamino)ethyl]-5,6-dihydro-4H-1,3-oxazine-2-carboxamide?
The InChIKey is FMQYBKXRQVBZEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N4O4/c17-9(11-15-3-1-7-19-11)13-5-6-14-10(18)12-16-4-2-8-20-12/h1-8H2,(H,13,17)(H,14,18).
What are the key properties of N-[2-(5,6-dihydro-4H-1,3-oxazine-2-carbonylamino)ethyl]-5,6-dihydro-4H-1,3-oxazine-2-carboxamide?
N-[2-(5,6-dihydro-4H-1,3-oxazine-2-carbonylamino)ethyl]-5,6-dihydro-4H-1,3-oxazine-2-carboxamide has a molecular weight of 282.30 g/mol, XLogP of -1.14, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(5,6-dihydro-4H-1,3-oxazine-2-carbonylamino)ethyl]-5,6-dihydro-4H-1,3-oxazine-2-carboxamide is sourced from PubChem (CID 22101622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).