[4-(dimethylcarbamoyloxy)phenyl]-diethyl-prop-2-enylazanium

C16H25N2O2+ — CID 24833465

IUPAC[4-(dimethylcarbamoyloxy)phenyl]-diethyl-prop-2-enylazanium
SMILESC=CC[N+](CC)(CC)c1ccc(OC(=O)N(C)C)cc1
InChIInChI=1S/C16H25N2O2/c1-6-13-18(7-2,8-3)14-9-11-15(12-10-14)20-16(19)17(4)5/h6,9-12H,1,7-8,13H2,2-5H3/q+1
InChIKeyMIXCOCUWHXKCLF-UHFFFAOYSA-N
MW277.39 g/mol
LogP3.28
Rot. Bonds6

About [4-(dimethylcarbamoyloxy)phenyl]-diethyl-prop-2-enylazanium

[4-(dimethylcarbamoyloxy)phenyl]-diethyl-prop-2-enylazanium (PubChem CID 24833465) has the molecular formula C16H25N2O2+ and a molecular weight of 277.39 g/mol. Its IUPAC name is [4-(dimethylcarbamoyloxy)phenyl]-diethyl-prop-2-enylazanium.

Molecular Properties

Compound Name[4-(dimethylcarbamoyloxy)phenyl]-diethyl-prop-2-enylazanium
PubChem CID24833465
Molecular FormulaC16H25N2O2+
Molecular Weight277.39 g/mol
Exact Mass277.19
IUPAC Name[4-(dimethylcarbamoyloxy)phenyl]-diethyl-prop-2-enylazanium
SMILESC=CC[N+](CC)(CC)c1ccc(OC(=O)N(C)C)cc1
InChIInChI=1S/C16H25N2O2/c1-6-13-18(7-2,8-3)14-9-11-15(12-10-14)20-16(19)17(4)5/h6,9-12H,1,7-8,13H2,2-5H3/q+1
InChIKeyMIXCOCUWHXKCLF-UHFFFAOYSA-N
XLogP3.28
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.39
LogP ≤ 53.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'}

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Related Compounds

[4-(dimethylcarbamoyloxy)phenyl]-trimethylazanium;methyl sulfate
CID 175674988
(4-aminophenyl) N,N-dimethylcarbamate
CID 21427559
[3-(dimethylcarbamoyloxy)phenyl]-diethyl-methylazanium
CID 22622
phenyl N-methyl-N-prop-2-enylcarbamate
CID 66595557
2-[[2-[4-(dimethylcarbamoyloxy)phenoxy]acetyl]amino]ethyl-triethylazanium iodide
CID 13416865
[2,6-bis(prop-2-enyl)phenyl] N,N-dimethylcarbamate
CID 518063
[2-(dimethylcarbamoyloxy)-3-prop-2-enylphenyl] N,N-dimethylcarbamate
CID 24836202
2-amino-3-[4-(dimethylcarbamoyloxy)phenyl]propanoic acid
CID 22386449
(4-pyrrolidin-1-ylphenyl) N,N-dimethylcarbamate
CID 67304885
[4-[4-[N-methyl-4-(4-prop-2-enoyloxyphenyl)anilino]phenyl]phenyl] prop-2-enoate
CID 22089909
[3-(dimethylcarbamoyloxy)phenyl]-trimethylazanium;bromide;hydrate
CID 177003345
[3-(dimethylamino)-4-methylphenyl] N,N-dimethylcarbamate
CID 23621926

Frequently Asked Questions

What is the IUPAC name of [4-(dimethylcarbamoyloxy)phenyl]-diethyl-prop-2-enylazanium?
The IUPAC name of [4-(dimethylcarbamoyloxy)phenyl]-diethyl-prop-2-enylazanium (CID 24833465) is [4-(dimethylcarbamoyloxy)phenyl]-diethyl-prop-2-enylazanium.
What is the SMILES notation for [4-(dimethylcarbamoyloxy)phenyl]-diethyl-prop-2-enylazanium?
The canonical SMILES for [4-(dimethylcarbamoyloxy)phenyl]-diethyl-prop-2-enylazanium is C=CC[N+](CC)(CC)c1ccc(OC(=O)N(C)C)cc1.
What is the InChIKey of [4-(dimethylcarbamoyloxy)phenyl]-diethyl-prop-2-enylazanium?
The InChIKey is MIXCOCUWHXKCLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N2O2/c1-6-13-18(7-2,8-3)14-9-11-15(12-10-14)20-16(19)17(4)5/h6,9-12H,1,7-8,13H2,2-5H3/q+1.
What are the key properties of [4-(dimethylcarbamoyloxy)phenyl]-diethyl-prop-2-enylazanium?
[4-(dimethylcarbamoyloxy)phenyl]-diethyl-prop-2-enylazanium has a molecular weight of 277.39 g/mol, XLogP of 3.28, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(dimethylcarbamoyloxy)phenyl]-diethyl-prop-2-enylazanium is sourced from PubChem (CID 24833465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).