1-ethyl-1-[2-(oxan-2-yloxy)ethanimidoyl]urea

C10H19N3O3 — CID 146176700

IUPAC1-ethyl-1-[2-(oxan-2-yloxy)ethanimidoyl]urea
SMILES[H]/N=C(/COC1CCCCO1)N(CC)C(N)=O
InChIInChI=1S/C10H19N3O3/c1-2-13(10(12)14)8(11)7-16-9-5-3-4-6-15-9/h9,11H,2-7H2,1H3,(H2,12,14)/b11-8-
InChIKeyNCRPXISXLILXCQ-FLIBITNWSA-N
MW229.28 g/mol
LogP0.91
Rot. Bonds4

About 1-ethyl-1-[2-(oxan-2-yloxy)ethanimidoyl]urea

1-ethyl-1-[2-(oxan-2-yloxy)ethanimidoyl]urea (PubChem CID 146176700) has the molecular formula C10H19N3O3 and a molecular weight of 229.28 g/mol. Its IUPAC name is 1-ethyl-1-[2-(oxan-2-yloxy)ethanimidoyl]urea.

Molecular Properties

Compound Name1-ethyl-1-[2-(oxan-2-yloxy)ethanimidoyl]urea
PubChem CID146176700
Molecular FormulaC10H19N3O3
Molecular Weight229.28 g/mol
Exact Mass229.14
IUPAC Name1-ethyl-1-[2-(oxan-2-yloxy)ethanimidoyl]urea
SMILES[H]/N=C(/COC1CCCCO1)N(CC)C(N)=O
InChIInChI=1S/C10H19N3O3/c1-2-13(10(12)14)8(11)7-16-9-5-3-4-6-15-9/h9,11H,2-7H2,1H3,(H2,12,14)/b11-8-
InChIKeyNCRPXISXLILXCQ-FLIBITNWSA-N
XLogP0.91
TPSA88.64 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.28
LogP ≤ 50.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

(Z)-5-(diethylamino)-6-(oxan-2-yloxy)hex-4-en-3-one
CID 11323168
2-(oxan-2-yloxy)ethyl carbamate
CID 22442425
[(E)-3-methyl-4-(oxan-2-yloxy)but-2-enyl] acetate
CID 11096364
ethane;2-(oxan-2-yloxy)ethanol
CID 143259213
methyl (2R)-2-methyl-3-[(2R)-oxan-2-yl]oxypropanoate
CID 92975409
methyl (2S)-2-methyl-3-(oxan-2-yloxy)propanoate
CID 11195022
magnesium;2-ethoxyoxane;dichloride
CID 158421621
2-(oxan-2-yloxy)ethyl N-(diaminomethylidene)carbamimidothioate
CID 83083051
3-methyl-4-(oxan-2-yloxy)but-2-en-1-ol
CID 71330033
4-[2-(oxan-2-yloxy)ethoxy]-3-sulfanylidenebutan-2-one
CID 57072264
ethyl (Z)-4-[(2R)-oxan-2-yl]oxybut-2-enoate
CID 129386524
(2E,4Z)-1-(oxan-2-yloxy)hexa-2,4-dien-2-ol
CID 144852096

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-1-[2-(oxan-2-yloxy)ethanimidoyl]urea?
The IUPAC name of 1-ethyl-1-[2-(oxan-2-yloxy)ethanimidoyl]urea (CID 146176700) is 1-ethyl-1-[2-(oxan-2-yloxy)ethanimidoyl]urea.
What is the SMILES notation for 1-ethyl-1-[2-(oxan-2-yloxy)ethanimidoyl]urea?
The canonical SMILES for 1-ethyl-1-[2-(oxan-2-yloxy)ethanimidoyl]urea is [H]/N=C(/COC1CCCCO1)N(CC)C(N)=O.
What is the InChIKey of 1-ethyl-1-[2-(oxan-2-yloxy)ethanimidoyl]urea?
The InChIKey is NCRPXISXLILXCQ-FLIBITNWSA-N. The full InChI is InChI=1S/C10H19N3O3/c1-2-13(10(12)14)8(11)7-16-9-5-3-4-6-15-9/h9,11H,2-7H2,1H3,(H2,12,14)/b11-8-.
What are the key properties of 1-ethyl-1-[2-(oxan-2-yloxy)ethanimidoyl]urea?
1-ethyl-1-[2-(oxan-2-yloxy)ethanimidoyl]urea has a molecular weight of 229.28 g/mol, XLogP of 0.91, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-1-[2-(oxan-2-yloxy)ethanimidoyl]urea is sourced from PubChem (CID 146176700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).