[3-(dimethylcarbamoyloxy)phenyl]-diethyl-methylazanium

C14H23N2O2+ — CID 22622

IUPAC[3-(dimethylcarbamoyloxy)phenyl]-diethyl-methylazanium
SMILESCC[N+](C)(CC)c1cccc(OC(=O)N(C)C)c1
InChIInChI=1S/C14H23N2O2/c1-6-16(5,7-2)12-9-8-10-13(11-12)18-14(17)15(3)4/h8-11H,6-7H2,1-5H3/q+1
InChIKeyOLPNKIILPIDARH-UHFFFAOYSA-N
MW251.35 g/mol
LogP2.72
Rot. Bonds4

About [3-(dimethylcarbamoyloxy)phenyl]-diethyl-methylazanium

[3-(dimethylcarbamoyloxy)phenyl]-diethyl-methylazanium (PubChem CID 22622) has the molecular formula C14H23N2O2+ and a molecular weight of 251.35 g/mol. Its IUPAC name is [3-(dimethylcarbamoyloxy)phenyl]-diethyl-methylazanium.

Molecular Properties

Compound Name[3-(dimethylcarbamoyloxy)phenyl]-diethyl-methylazanium
PubChem CID22622
Molecular FormulaC14H23N2O2+
Molecular Weight251.35 g/mol
Exact Mass251.18
IUPAC Name[3-(dimethylcarbamoyloxy)phenyl]-diethyl-methylazanium
SMILESCC[N+](C)(CC)c1cccc(OC(=O)N(C)C)c1
InChIInChI=1S/C14H23N2O2/c1-6-16(5,7-2)12-9-8-10-13(11-12)18-14(17)15(3)4/h8-11H,6-7H2,1-5H3/q+1
InChIKeyOLPNKIILPIDARH-UHFFFAOYSA-N
XLogP2.72
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.35
LogP ≤ 52.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

[3-(dimethylcarbamoyloxy)phenyl]-trimethylazanium;bromide;hydrate
CID 177003345
[3-[(1R)-1-(methylamino)ethyl]phenyl] N,N-dimethylcarbamate
CID 97103071
diethyl-(3-hydroxyphenyl)-methylazanium chloride
CID 14325
[2-(dimethylcarbamoyloxy)-3-[(trimethylazaniumyl)methyl]phenyl]methyl-trimethylazanium
CID 135121841
[3-[3-[4-(trifluoromethyl)phenoxy]propoxy]phenyl] N,N-dimethylcarbamate
CID 50924219
[4-(dimethylcarbamoyloxy)-2-phenylphenyl]-trimethylazanium iodide
CID 24833369
quinolin-7-yl N,N-dimethylcarbamate
CID 11218314
[3-[(2,6-difluorobenzoyl)amino]phenyl] N,N-dimethylcarbamate
CID 2739042
2-[(3-ethylphenoxy)carbonyl-methylamino]acetic acid
CID 116819552
[4-(dimethylcarbamoyloxy)phenyl]-diethyl-prop-2-enylazanium
CID 24833465
(6-bromonaphthalen-2-yl) N,N-dimethylcarbamate
CID 807327
[3-(dimethylamino)-4-methylphenyl] N,N-dimethylcarbamate
CID 23621926

Frequently Asked Questions

What is the IUPAC name of [3-(dimethylcarbamoyloxy)phenyl]-diethyl-methylazanium?
The IUPAC name of [3-(dimethylcarbamoyloxy)phenyl]-diethyl-methylazanium (CID 22622) is [3-(dimethylcarbamoyloxy)phenyl]-diethyl-methylazanium.
What is the SMILES notation for [3-(dimethylcarbamoyloxy)phenyl]-diethyl-methylazanium?
The canonical SMILES for [3-(dimethylcarbamoyloxy)phenyl]-diethyl-methylazanium is CC[N+](C)(CC)c1cccc(OC(=O)N(C)C)c1.
What is the InChIKey of [3-(dimethylcarbamoyloxy)phenyl]-diethyl-methylazanium?
The InChIKey is OLPNKIILPIDARH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N2O2/c1-6-16(5,7-2)12-9-8-10-13(11-12)18-14(17)15(3)4/h8-11H,6-7H2,1-5H3/q+1.
What are the key properties of [3-(dimethylcarbamoyloxy)phenyl]-diethyl-methylazanium?
[3-(dimethylcarbamoyloxy)phenyl]-diethyl-methylazanium has a molecular weight of 251.35 g/mol, XLogP of 2.72, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(dimethylcarbamoyloxy)phenyl]-diethyl-methylazanium is sourced from PubChem (CID 22622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).