14-[methyl-[(Z)-2-(methylideneamino)ethenyl]carbamoyl]oxytetradecyl imidazole-1-carboxylate

C23H38N4O4 — CID 156560761

IUPAC14-[methyl-[(Z)-2-(methylideneamino)ethenyl]carbamoyl]oxytetradecyl imidazole-1-carboxylate
SMILESC=N/C=C\N(C)C(=O)OCCCCCCCCCCCCCCOC(=O)n1ccnc1
InChIInChI=1S/C23H38N4O4/c1-24-15-17-26(2)22(28)30-19-13-11-9-7-5-3-4-6-8-10-12-14-20-31-23(29)27-18-16-25-21-27/h15-18,21H,1,3-14,19-20H2,2H3/b17-15-
InChIKeyHJZJESWJNMTFNL-ICFOKQHNSA-N
MW434.58 g/mol
LogP5.79
Rot. Bonds17

About 14-[methyl-[(Z)-2-(methylideneamino)ethenyl]carbamoyl]oxytetradecyl imidazole-1-carboxylate

14-[methyl-[(Z)-2-(methylideneamino)ethenyl]carbamoyl]oxytetradecyl imidazole-1-carboxylate (PubChem CID 156560761) has the molecular formula C23H38N4O4 and a molecular weight of 434.58 g/mol. Its IUPAC name is 14-[methyl-[(Z)-2-(methylideneamino)ethenyl]carbamoyl]oxytetradecyl imidazole-1-carboxylate.

Molecular Properties

Compound Name14-[methyl-[(Z)-2-(methylideneamino)ethenyl]carbamoyl]oxytetradecyl imidazole-1-carboxylate
PubChem CID156560761
Molecular FormulaC23H38N4O4
Molecular Weight434.58 g/mol
Exact Mass434.29
IUPAC Name14-[methyl-[(Z)-2-(methylideneamino)ethenyl]carbamoyl]oxytetradecyl imidazole-1-carboxylate
SMILESC=N/C=C\N(C)C(=O)OCCCCCCCCCCCCCCOC(=O)n1ccnc1
InChIInChI=1S/C23H38N4O4/c1-24-15-17-26(2)22(28)30-19-13-11-9-7-5-3-4-6-8-10-12-14-20-31-23(29)27-18-16-25-21-27/h15-18,21H,1,3-14,19-20H2,2H3/b17-15-
InChIKeyHJZJESWJNMTFNL-ICFOKQHNSA-N
XLogP5.79
TPSA86.02 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds17
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500434.58
LogP ≤ 55.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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

2-[2-[2-[2-[methyl-[(Z)-2-(methylideneamino)ethenyl]carbamoyl]oxyethoxy]ethoxy]ethoxy]ethyl imidazole-1-carboxylate
CID 156560762
butyl imidazole-1-carboxylate
CID 12840941
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
4,4,4-trifluorobutyl imidazole-1-carboxylate
CID 71419641
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
1-imidazol-1-yl-6-methoxyhexan-1-one
CID 58939130
(2-methylpyrazol-3-yl)methyl imidazole-1-carboxylate
CID 134348473
(2-oxo-2-pyrrolidin-1-ylethyl) imidazole-1-carboxylate
CID 134348666

Frequently Asked Questions

What is the IUPAC name of 14-[methyl-[(Z)-2-(methylideneamino)ethenyl]carbamoyl]oxytetradecyl imidazole-1-carboxylate?
The IUPAC name of 14-[methyl-[(Z)-2-(methylideneamino)ethenyl]carbamoyl]oxytetradecyl imidazole-1-carboxylate (CID 156560761) is 14-[methyl-[(Z)-2-(methylideneamino)ethenyl]carbamoyl]oxytetradecyl imidazole-1-carboxylate.
What is the SMILES notation for 14-[methyl-[(Z)-2-(methylideneamino)ethenyl]carbamoyl]oxytetradecyl imidazole-1-carboxylate?
The canonical SMILES for 14-[methyl-[(Z)-2-(methylideneamino)ethenyl]carbamoyl]oxytetradecyl imidazole-1-carboxylate is C=N/C=C\N(C)C(=O)OCCCCCCCCCCCCCCOC(=O)n1ccnc1.
What is the InChIKey of 14-[methyl-[(Z)-2-(methylideneamino)ethenyl]carbamoyl]oxytetradecyl imidazole-1-carboxylate?
The InChIKey is HJZJESWJNMTFNL-ICFOKQHNSA-N. The full InChI is InChI=1S/C23H38N4O4/c1-24-15-17-26(2)22(28)30-19-13-11-9-7-5-3-4-6-8-10-12-14-20-31-23(29)27-18-16-25-21-27/h15-18,21H,1,3-14,19-20H2,2H3/b17-15-.
What are the key properties of 14-[methyl-[(Z)-2-(methylideneamino)ethenyl]carbamoyl]oxytetradecyl imidazole-1-carboxylate?
14-[methyl-[(Z)-2-(methylideneamino)ethenyl]carbamoyl]oxytetradecyl imidazole-1-carboxylate has a molecular weight of 434.58 g/mol, XLogP of 5.79, 17 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 14-[methyl-[(Z)-2-(methylideneamino)ethenyl]carbamoyl]oxytetradecyl imidazole-1-carboxylate is sourced from PubChem (CID 156560761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).