diethyl-methyl-[4-(methylcarbamoyloxy)phenyl]phosphanium

C13H21NO2P+ — CID 6332717

IUPACdiethyl-methyl-[4-(methylcarbamoyloxy)phenyl]phosphanium
SMILESCC[P+](C)(CC)c1ccc(OC(=O)NC)cc1
InChIInChI=1S/C13H20NO2P/c1-5-17(4,6-2)12-9-7-11(8-10-12)16-13(15)14-3/h7-10H,5-6H2,1-4H3/p+1
InChIKeyPUNTVPLGLPRGNY-UHFFFAOYSA-O
MW254.29 g/mol
LogP2.72
Rot. Bonds4

About diethyl-methyl-[4-(methylcarbamoyloxy)phenyl]phosphanium

diethyl-methyl-[4-(methylcarbamoyloxy)phenyl]phosphanium (PubChem CID 6332717) has the molecular formula C13H21NO2P+ and a molecular weight of 254.29 g/mol. Its IUPAC name is diethyl-methyl-[4-(methylcarbamoyloxy)phenyl]phosphanium.

Molecular Properties

Compound Namediethyl-methyl-[4-(methylcarbamoyloxy)phenyl]phosphanium
PubChem CID6332717
Molecular FormulaC13H21NO2P+
Molecular Weight254.29 g/mol
Exact Mass254.13
IUPAC Namediethyl-methyl-[4-(methylcarbamoyloxy)phenyl]phosphanium
SMILESCC[P+](C)(CC)c1ccc(OC(=O)NC)cc1
InChIInChI=1S/C13H20NO2P/c1-5-17(4,6-2)12-9-7-11(8-10-12)16-13(15)14-3/h7-10H,5-6H2,1-4H3/p+1
InChIKeyPUNTVPLGLPRGNY-UHFFFAOYSA-O
XLogP2.72
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.29
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

[4-(2,2-dichloro-1,1-difluoroethoxy)phenyl] N-methylcarbamate
CID 154400545
[4-(difluoromethoxy)phenyl] N-methylcarbamate
CID 165349276
(4-docosoxyphenyl) N-methylcarbamate
CID 172715138
[4-[(dimethylamino)methyl]phenyl] N-methylcarbamate;hydrochloride
CID 138400728
[4-[1-(4-chlorophenyl)-1-hydroxypropyl]phenyl] N-methylcarbamate
CID 14727335
[4-(4-hydroxybenzoyl)phenyl] N-methylcarbamate
CID 117058910
[4-(dimethylamino)phenyl] N-methylcarbamate;iodomethane
CID 23618192
[4-(carbamoylamino)phenyl] N-methylcarbamate
CID 134123032
[3-[(2R,3R)-1-(dimethylamino)-2-methylpentan-3-yl]phenyl] N-methylcarbamate;hydrochloride
CID 50899286
hexan-2-one;pentan-2-one;phenyl N-methylcarbamate
CID 158958417
(4-chlorophenyl) 2-bromobutanoate
CID 54235424
(3,5-dimethylphenyl) N-methylcarbamate
CID 17563

Frequently Asked Questions

What is the IUPAC name of diethyl-methyl-[4-(methylcarbamoyloxy)phenyl]phosphanium?
The IUPAC name of diethyl-methyl-[4-(methylcarbamoyloxy)phenyl]phosphanium (CID 6332717) is diethyl-methyl-[4-(methylcarbamoyloxy)phenyl]phosphanium.
What is the SMILES notation for diethyl-methyl-[4-(methylcarbamoyloxy)phenyl]phosphanium?
The canonical SMILES for diethyl-methyl-[4-(methylcarbamoyloxy)phenyl]phosphanium is CC[P+](C)(CC)c1ccc(OC(=O)NC)cc1.
What is the InChIKey of diethyl-methyl-[4-(methylcarbamoyloxy)phenyl]phosphanium?
The InChIKey is PUNTVPLGLPRGNY-UHFFFAOYSA-O. The full InChI is InChI=1S/C13H20NO2P/c1-5-17(4,6-2)12-9-7-11(8-10-12)16-13(15)14-3/h7-10H,5-6H2,1-4H3/p+1.
What are the key properties of diethyl-methyl-[4-(methylcarbamoyloxy)phenyl]phosphanium?
diethyl-methyl-[4-(methylcarbamoyloxy)phenyl]phosphanium has a molecular weight of 254.29 g/mol, XLogP of 2.72, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for diethyl-methyl-[4-(methylcarbamoyloxy)phenyl]phosphanium is sourced from PubChem (CID 6332717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).