[[1-(2-methoxyethoxy)-3,3-dimethylbutan-2-ylidene]amino] N-methylcarbamate

C11H22N2O4 — CID 54359627

IUPAC[[1-(2-methoxyethoxy)-3,3-dimethylbutan-2-ylidene]amino] N-methylcarbamate
SMILESCNC(=O)ON=C(COCCOC)C(C)(C)C
InChIInChI=1S/C11H22N2O4/c1-11(2,3)9(8-16-7-6-15-5)13-17-10(14)12-4/h6-8H2,1-5H3,(H,12,14)
InChIKeyULOWZFFBWLGMFL-UHFFFAOYSA-N
MW246.31 g/mol
LogP1.41
Rot. Bonds6

About [[1-(2-methoxyethoxy)-3,3-dimethylbutan-2-ylidene]amino] N-methylcarbamate

[[1-(2-methoxyethoxy)-3,3-dimethylbutan-2-ylidene]amino] N-methylcarbamate (PubChem CID 54359627) has the molecular formula C11H22N2O4 and a molecular weight of 246.31 g/mol. Its IUPAC name is [[1-(2-methoxyethoxy)-3,3-dimethylbutan-2-ylidene]amino] N-methylcarbamate.

Molecular Properties

Compound Name[[1-(2-methoxyethoxy)-3,3-dimethylbutan-2-ylidene]amino] N-methylcarbamate
PubChem CID54359627
Molecular FormulaC11H22N2O4
Molecular Weight246.31 g/mol
Exact Mass246.16
IUPAC Name[[1-(2-methoxyethoxy)-3,3-dimethylbutan-2-ylidene]amino] N-methylcarbamate
SMILESCNC(=O)ON=C(COCCOC)C(C)(C)C
InChIInChI=1S/C11H22N2O4/c1-11(2,3)9(8-16-7-6-15-5)13-17-10(14)12-4/h6-8H2,1-5H3,(H,12,14)
InChIKeyULOWZFFBWLGMFL-UHFFFAOYSA-N
XLogP1.41
TPSA69.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.31
LogP ≤ 51.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'oxime_2', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

[(1-tert-butylsulfanyl-3,3-dimethylbutan-2-ylidene)amino] N-methylcarbamate
CID 88794425
[(Z)-[1-(difluoromethylsulfanyl)-3,3-dimethylbutan-2-ylidene]amino] N-methylcarbamate
CID 88842126
2-[2-(2-methoxyethoxy)ethoxy]-N-methylacetamide
CID 22961397
1-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]-3,3-dimethylbutan-2-one
CID 113427120
[[1-(2-ethenylsulfanylethylsulfanyl)-3,3-dimethylbutan-2-ylidene]amino] N-methylcarbamate
CID 54324609
[(4-cyano-1-fluoro-3,3-dimethylbutan-2-ylidene)amino] N-methylcarbamate
CID 54563020
[[1-(dimethylamino)-3,3-dimethyl-1-oxobutan-2-ylidene]amino] N-methylcarbamate
CID 71394467
3-[2-(2-methoxyethoxy)ethoxy]propyl N-methylcarbamate
CID 177295921
1,3-bis(2-methoxyethoxy)propan-2-one
CID 14893271
2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethanethioic S-acid
CID 88598510
methyl 2-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]acetate
CID 91694163
2-[2-(3-methoxypropoxy)ethoxy]-N-methylacetamide
CID 134579961

Frequently Asked Questions

What is the IUPAC name of [[1-(2-methoxyethoxy)-3,3-dimethylbutan-2-ylidene]amino] N-methylcarbamate?
The IUPAC name of [[1-(2-methoxyethoxy)-3,3-dimethylbutan-2-ylidene]amino] N-methylcarbamate (CID 54359627) is [[1-(2-methoxyethoxy)-3,3-dimethylbutan-2-ylidene]amino] N-methylcarbamate.
What is the SMILES notation for [[1-(2-methoxyethoxy)-3,3-dimethylbutan-2-ylidene]amino] N-methylcarbamate?
The canonical SMILES for [[1-(2-methoxyethoxy)-3,3-dimethylbutan-2-ylidene]amino] N-methylcarbamate is CNC(=O)ON=C(COCCOC)C(C)(C)C.
What is the InChIKey of [[1-(2-methoxyethoxy)-3,3-dimethylbutan-2-ylidene]amino] N-methylcarbamate?
The InChIKey is ULOWZFFBWLGMFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O4/c1-11(2,3)9(8-16-7-6-15-5)13-17-10(14)12-4/h6-8H2,1-5H3,(H,12,14).
What are the key properties of [[1-(2-methoxyethoxy)-3,3-dimethylbutan-2-ylidene]amino] N-methylcarbamate?
[[1-(2-methoxyethoxy)-3,3-dimethylbutan-2-ylidene]amino] N-methylcarbamate has a molecular weight of 246.31 g/mol, XLogP of 1.41, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [[1-(2-methoxyethoxy)-3,3-dimethylbutan-2-ylidene]amino] N-methylcarbamate is sourced from PubChem (CID 54359627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).