[ethyl-[2-(2-methylprop-2-enoyloxy)butyl]carbamoyl]oxy-oxophosphanium

C11H19NO5P+ — CID 173322274

IUPAC[ethyl-[2-(2-methylprop-2-enoyloxy)butyl]carbamoyl]oxy-oxophosphanium
SMILESC=C(C)C(=O)OC(CC)CN(CC)C(=O)O[PH+]=O
InChIInChI=1S/C11H19NO5P/c1-5-9(16-10(13)8(3)4)7-12(6-2)11(14)17-18-15/h9,18H,3,5-7H2,1-2,4H3/q+1
InChIKeySURODYNCGJFAEO-UHFFFAOYSA-N
MW276.25 g/mol
LogP2.28
Rot. Bonds7

About [ethyl-[2-(2-methylprop-2-enoyloxy)butyl]carbamoyl]oxy-oxophosphanium

[ethyl-[2-(2-methylprop-2-enoyloxy)butyl]carbamoyl]oxy-oxophosphanium (PubChem CID 173322274) has the molecular formula C11H19NO5P+ and a molecular weight of 276.25 g/mol. Its IUPAC name is [ethyl-[2-(2-methylprop-2-enoyloxy)butyl]carbamoyl]oxy-oxophosphanium.

Molecular Properties

Compound Name[ethyl-[2-(2-methylprop-2-enoyloxy)butyl]carbamoyl]oxy-oxophosphanium
PubChem CID173322274
Molecular FormulaC11H19NO5P+
Molecular Weight276.25 g/mol
Exact Mass276.10
IUPAC Name[ethyl-[2-(2-methylprop-2-enoyloxy)butyl]carbamoyl]oxy-oxophosphanium
SMILESC=C(C)C(=O)OC(CC)CN(CC)C(=O)O[PH+]=O
InChIInChI=1S/C11H19NO5P/c1-5-9(16-10(13)8(3)4)7-12(6-2)11(14)17-18-15/h9,18H,3,5-7H2,1-2,4H3/q+1
InChIKeySURODYNCGJFAEO-UHFFFAOYSA-N
XLogP2.28
TPSA72.91 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.25
LogP ≤ 52.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

Analyze [ethyl-[2-(2-methylprop-2-enoyloxy)butyl]carbamoyl]oxy-oxophosphanium with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(diethylamino)pentan-3-yl 2-methylprop-2-enoate
CID 150692893
N-ethyl-N-(2-methoxybutyl)acetamide
CID 145441257
butane-1,4-diol;2-(2-methylprop-2-enoyloxy)butyl 2-methylprop-2-enoate
CID 122641854
14-(dimethylamino)tetradecan-3-yl 2-methylprop-2-enoate
CID 174290137
2-methylprop-2-enoic acid;octan-3-yl 2-methylprop-2-enoate
CID 158425765
[2-methyl-1-(2-methylprop-2-enoyloxy)butyl] 2-methylprop-2-enoate
CID 139940333
1-phosphanylpropyl 2-methylprop-2-enoate
CID 155643080
[(E)-7-amino-6-methyl-7-oxohept-5-en-3-yl] 2-methylprop-2-enoate
CID 172526451
11,11-dimethyldodecan-3-yl 2-methylprop-2-enoate
CID 164546841
[3-(dimethylazaniumyl)-2-(2-methylprop-2-enoyloxy)propyl]-dimethylazanium
CID 154612003
2,17-dimethyloctadecan-9-yl 2-methylprop-2-enoate
CID 142686582
pentacosan-13-yl 2-methylprop-2-enoate
CID 54141631

Frequently Asked Questions

What is the IUPAC name of [ethyl-[2-(2-methylprop-2-enoyloxy)butyl]carbamoyl]oxy-oxophosphanium?
The IUPAC name of [ethyl-[2-(2-methylprop-2-enoyloxy)butyl]carbamoyl]oxy-oxophosphanium (CID 173322274) is [ethyl-[2-(2-methylprop-2-enoyloxy)butyl]carbamoyl]oxy-oxophosphanium.
What is the SMILES notation for [ethyl-[2-(2-methylprop-2-enoyloxy)butyl]carbamoyl]oxy-oxophosphanium?
The canonical SMILES for [ethyl-[2-(2-methylprop-2-enoyloxy)butyl]carbamoyl]oxy-oxophosphanium is C=C(C)C(=O)OC(CC)CN(CC)C(=O)O[PH+]=O.
What is the InChIKey of [ethyl-[2-(2-methylprop-2-enoyloxy)butyl]carbamoyl]oxy-oxophosphanium?
The InChIKey is SURODYNCGJFAEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NO5P/c1-5-9(16-10(13)8(3)4)7-12(6-2)11(14)17-18-15/h9,18H,3,5-7H2,1-2,4H3/q+1.
What are the key properties of [ethyl-[2-(2-methylprop-2-enoyloxy)butyl]carbamoyl]oxy-oxophosphanium?
[ethyl-[2-(2-methylprop-2-enoyloxy)butyl]carbamoyl]oxy-oxophosphanium has a molecular weight of 276.25 g/mol, XLogP of 2.28, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [ethyl-[2-(2-methylprop-2-enoyloxy)butyl]carbamoyl]oxy-oxophosphanium is sourced from PubChem (CID 173322274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).