2-[2-[methyl-[(Z)-2-(methylideneamino)ethenyl]carbamoyl]oxyethoxy]ethyl N-methyl-N-[(Z)-2-(methylideneamino)ethenyl]carbamate

C14H22N4O5 — CID 156560458

IUPAC2-[2-[methyl-[(Z)-2-(methylideneamino)ethenyl]carbamoyl]oxyethoxy]ethyl N-methyl-N-[(Z)-2-(methylideneamino)ethenyl]carbamate
SMILESC=N/C=C\N(C)C(=O)OCCOCCOC(=O)N(C)/C=C\N=C
InChIInChI=1S/C14H22N4O5/c1-15-5-7-17(3)13(19)22-11-9-21-10-12-23-14(20)18(4)8-6-16-2/h5-8H,1-2,9-12H2,3-4H3/b7-5-,8-6-
InChIKeyYKGFMCIKOWJVST-SFECMWDFSA-N
MW326.35 g/mol
LogP1.48
Rot. Bonds10

About 2-[2-[methyl-[(Z)-2-(methylideneamino)ethenyl]carbamoyl]oxyethoxy]ethyl N-methyl-N-[(Z)-2-(methylideneamino)ethenyl]carbamate

2-[2-[methyl-[(Z)-2-(methylideneamino)ethenyl]carbamoyl]oxyethoxy]ethyl N-methyl-N-[(Z)-2-(methylideneamino)ethenyl]carbamate (PubChem CID 156560458) has the molecular formula C14H22N4O5 and a molecular weight of 326.35 g/mol. Its IUPAC name is 2-[2-[methyl-[(Z)-2-(methylideneamino)ethenyl]carbamoyl]oxyethoxy]ethyl N-methyl-N-[(Z)-2-(methylideneamino)ethenyl]carbamate.

Molecular Properties

Compound Name2-[2-[methyl-[(Z)-2-(methylideneamino)ethenyl]carbamoyl]oxyethoxy]ethyl N-methyl-N-[(Z)-2-(methylideneamino)ethenyl]carbamate
PubChem CID156560458
Molecular FormulaC14H22N4O5
Molecular Weight326.35 g/mol
Exact Mass326.16
IUPAC Name2-[2-[methyl-[(Z)-2-(methylideneamino)ethenyl]carbamoyl]oxyethoxy]ethyl N-methyl-N-[(Z)-2-(methylideneamino)ethenyl]carbamate
SMILESC=N/C=C\N(C)C(=O)OCCOCCOC(=O)N(C)/C=C\N=C
InChIInChI=1S/C14H22N4O5/c1-15-5-7-17(3)13(19)22-11-9-21-10-12-23-14(20)18(4)8-6-16-2/h5-8H,1-2,9-12H2,3-4H3/b7-5-,8-6-
InChIKeyYKGFMCIKOWJVST-SFECMWDFSA-N
XLogP1.48
TPSA93.03 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.35
LogP ≤ 51.48
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
2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl hydrogen carbonate
CID 87539702
1-O-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethyl] 4-O-[(methylideneamino)methyl] (E)-but-2-enedioate
CID 163700364
2-(2-prop-2-enoxyethoxy)ethyl acetate
CID 525147
2-[2-[2-(2-prop-2-enoxyethoxy)ethoxy]ethoxy]ethyl acetate
CID 525183
2-[2-[2-(2-methylprop-2-enoyloxy)ethoxy]ethoxy]ethyl 2-methylprop-2-enoate
CID 7979
2-[2-[2-[2-[2-[2-(2-methylprop-2-enoyloxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl 2-methylprop-2-enoate
CID 18762112
2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-methylprop-2-enoyloxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl 2-methylprop-2-enoate
CID 139628547
2-(2-carboxyoxyethoxy)ethyl prop-2-enyl carbonate
CID 87661731
2-(2-oxopropanoyloxy)ethyl 2-oxopropanoate
CID 88878043
2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-prop-2-enoyloxyethylperoxy)ethylperoxy]ethylperoxy]ethylperoxy]ethylperoxy]ethylperoxy]ethylperoxy]ethylperoxy]ethylperoxy]ethylperoxy]ethylperoxy]ethylperoxy]ethylperoxy]ethylperoxy]ethylperoxy]ethylperoxy]ethylperoxy]ethylperoxy]ethylperoxy]ethylperoxy]ethylperoxy]ethoxy]ethyl prop-2-enoate
CID 135130326
2-(2-prop-1-en-2-yloxyethoxy)ethyl acetate
CID 161380709

Frequently Asked Questions

What is the IUPAC name of 2-[2-[methyl-[(Z)-2-(methylideneamino)ethenyl]carbamoyl]oxyethoxy]ethyl N-methyl-N-[(Z)-2-(methylideneamino)ethenyl]carbamate?
The IUPAC name of 2-[2-[methyl-[(Z)-2-(methylideneamino)ethenyl]carbamoyl]oxyethoxy]ethyl N-methyl-N-[(Z)-2-(methylideneamino)ethenyl]carbamate (CID 156560458) is 2-[2-[methyl-[(Z)-2-(methylideneamino)ethenyl]carbamoyl]oxyethoxy]ethyl N-methyl-N-[(Z)-2-(methylideneamino)ethenyl]carbamate.
What is the SMILES notation for 2-[2-[methyl-[(Z)-2-(methylideneamino)ethenyl]carbamoyl]oxyethoxy]ethyl N-methyl-N-[(Z)-2-(methylideneamino)ethenyl]carbamate?
The canonical SMILES for 2-[2-[methyl-[(Z)-2-(methylideneamino)ethenyl]carbamoyl]oxyethoxy]ethyl N-methyl-N-[(Z)-2-(methylideneamino)ethenyl]carbamate is C=N/C=C\N(C)C(=O)OCCOCCOC(=O)N(C)/C=C\N=C.
What is the InChIKey of 2-[2-[methyl-[(Z)-2-(methylideneamino)ethenyl]carbamoyl]oxyethoxy]ethyl N-methyl-N-[(Z)-2-(methylideneamino)ethenyl]carbamate?
The InChIKey is YKGFMCIKOWJVST-SFECMWDFSA-N. The full InChI is InChI=1S/C14H22N4O5/c1-15-5-7-17(3)13(19)22-11-9-21-10-12-23-14(20)18(4)8-6-16-2/h5-8H,1-2,9-12H2,3-4H3/b7-5-,8-6-.
What are the key properties of 2-[2-[methyl-[(Z)-2-(methylideneamino)ethenyl]carbamoyl]oxyethoxy]ethyl N-methyl-N-[(Z)-2-(methylideneamino)ethenyl]carbamate?
2-[2-[methyl-[(Z)-2-(methylideneamino)ethenyl]carbamoyl]oxyethoxy]ethyl N-methyl-N-[(Z)-2-(methylideneamino)ethenyl]carbamate has a molecular weight of 326.35 g/mol, XLogP of 1.48, 10 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[methyl-[(Z)-2-(methylideneamino)ethenyl]carbamoyl]oxyethoxy]ethyl N-methyl-N-[(Z)-2-(methylideneamino)ethenyl]carbamate is sourced from PubChem (CID 156560458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).