2-[2-[2-[2-[methyl-[(Z)-2-(methylideneamino)ethenyl]carbamoyl]oxyethoxy]ethoxy]ethoxy]ethyl imidazole-1-carboxylate

C17H26N4O7 — CID 156560762

IUPAC2-[2-[2-[2-[methyl-[(Z)-2-(methylideneamino)ethenyl]carbamoyl]oxyethoxy]ethoxy]ethoxy]ethyl imidazole-1-carboxylate
SMILESC=N/C=C\N(C)C(=O)OCCOCCOCCOCCOC(=O)n1ccnc1
InChIInChI=1S/C17H26N4O7/c1-18-3-5-20(2)16(22)27-13-11-25-9-7-24-8-10-26-12-14-28-17(23)21-6-4-19-15-21/h3-6,15H,1,7-14H2,2H3/b5-3-
InChIKeyQEWZQEUBXBVNHC-HYXAFXHYSA-N
MW398.42 g/mol
LogP1.16
Rot. Bonds14

About 2-[2-[2-[2-[methyl-[(Z)-2-(methylideneamino)ethenyl]carbamoyl]oxyethoxy]ethoxy]ethoxy]ethyl imidazole-1-carboxylate

2-[2-[2-[2-[methyl-[(Z)-2-(methylideneamino)ethenyl]carbamoyl]oxyethoxy]ethoxy]ethoxy]ethyl imidazole-1-carboxylate (PubChem CID 156560762) has the molecular formula C17H26N4O7 and a molecular weight of 398.42 g/mol. Its IUPAC name is 2-[2-[2-[2-[methyl-[(Z)-2-(methylideneamino)ethenyl]carbamoyl]oxyethoxy]ethoxy]ethoxy]ethyl imidazole-1-carboxylate.

Molecular Properties

Compound Name2-[2-[2-[2-[methyl-[(Z)-2-(methylideneamino)ethenyl]carbamoyl]oxyethoxy]ethoxy]ethoxy]ethyl imidazole-1-carboxylate
PubChem CID156560762
Molecular FormulaC17H26N4O7
Molecular Weight398.42 g/mol
Exact Mass398.18
IUPAC Name2-[2-[2-[2-[methyl-[(Z)-2-(methylideneamino)ethenyl]carbamoyl]oxyethoxy]ethoxy]ethoxy]ethyl imidazole-1-carboxylate
SMILESC=N/C=C\N(C)C(=O)OCCOCCOCCOCCOC(=O)n1ccnc1
InChIInChI=1S/C17H26N4O7/c1-18-3-5-20(2)16(22)27-13-11-25-9-7-24-8-10-26-12-14-28-17(23)21-6-4-19-15-21/h3-6,15H,1,7-14H2,2H3/b5-3-
InChIKeyQEWZQEUBXBVNHC-HYXAFXHYSA-N
XLogP1.16
TPSA113.71 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds14
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.42
LogP ≤ 51.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

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

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Related Compounds

14-[methyl-[(Z)-2-(methylideneamino)ethenyl]carbamoyl]oxytetradecyl imidazole-1-carboxylate
CID 156560761
2-[2-[methyl-[(Z)-2-(methylideneamino)ethenyl]carbamoyl]oxyethoxy]ethyl N-methyl-N-[(Z)-2-(methylideneamino)ethenyl]carbamate
CID 156560458
2-methoxyethyl imidazole-1-carboxylate
CID 10583275
[(Z)-2-[methyl-(methylideneamino)amino]but-2-enyl] imidazole-1-carboxylate
CID 142433669
butyl imidazole-1-carboxylate
CID 12840941
2-(1-hydroxy-2-methylpropan-2-yl)oxyethyl imidazole-1-carboxylate
CID 89467135
2-(1,2,2-trimethylcyclopropanecarbonyl)oxyethyl imidazole-1-carboxylate
CID 146209608
2-phenylethyl imidazole-1-carboxylate
CID 15371420
2-(2-chlorophenyl)ethyl imidazole-1-carboxylate
CID 143792756
(2-oxo-2-pyrrolidin-1-ylethyl) imidazole-1-carboxylate
CID 134348666
(1-acetylpiperidin-4-yl)methyl imidazole-1-carboxylate
CID 135338878
N-ethoxyimidazole-1-carboxamide
CID 71385822

Frequently Asked Questions

What is the IUPAC name of 2-[2-[2-[2-[methyl-[(Z)-2-(methylideneamino)ethenyl]carbamoyl]oxyethoxy]ethoxy]ethoxy]ethyl imidazole-1-carboxylate?
The IUPAC name of 2-[2-[2-[2-[methyl-[(Z)-2-(methylideneamino)ethenyl]carbamoyl]oxyethoxy]ethoxy]ethoxy]ethyl imidazole-1-carboxylate (CID 156560762) is 2-[2-[2-[2-[methyl-[(Z)-2-(methylideneamino)ethenyl]carbamoyl]oxyethoxy]ethoxy]ethoxy]ethyl imidazole-1-carboxylate.
What is the SMILES notation for 2-[2-[2-[2-[methyl-[(Z)-2-(methylideneamino)ethenyl]carbamoyl]oxyethoxy]ethoxy]ethoxy]ethyl imidazole-1-carboxylate?
The canonical SMILES for 2-[2-[2-[2-[methyl-[(Z)-2-(methylideneamino)ethenyl]carbamoyl]oxyethoxy]ethoxy]ethoxy]ethyl imidazole-1-carboxylate is C=N/C=C\N(C)C(=O)OCCOCCOCCOCCOC(=O)n1ccnc1.
What is the InChIKey of 2-[2-[2-[2-[methyl-[(Z)-2-(methylideneamino)ethenyl]carbamoyl]oxyethoxy]ethoxy]ethoxy]ethyl imidazole-1-carboxylate?
The InChIKey is QEWZQEUBXBVNHC-HYXAFXHYSA-N. The full InChI is InChI=1S/C17H26N4O7/c1-18-3-5-20(2)16(22)27-13-11-25-9-7-24-8-10-26-12-14-28-17(23)21-6-4-19-15-21/h3-6,15H,1,7-14H2,2H3/b5-3-.
What are the key properties of 2-[2-[2-[2-[methyl-[(Z)-2-(methylideneamino)ethenyl]carbamoyl]oxyethoxy]ethoxy]ethoxy]ethyl imidazole-1-carboxylate?
2-[2-[2-[2-[methyl-[(Z)-2-(methylideneamino)ethenyl]carbamoyl]oxyethoxy]ethoxy]ethoxy]ethyl imidazole-1-carboxylate has a molecular weight of 398.42 g/mol, XLogP of 1.16, 14 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[2-[2-[methyl-[(Z)-2-(methylideneamino)ethenyl]carbamoyl]oxyethoxy]ethoxy]ethoxy]ethyl imidazole-1-carboxylate is sourced from PubChem (CID 156560762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).