[2-[bis(prop-2-enyl)amino]-2-oxoethyl]-tributylphosphanium chloride

C20H39ClNOP — CID 88846025

IUPAC[2-[bis(prop-2-enyl)amino]-2-oxoethyl]-tributylphosphanium chloride
SMILESC=CCN(CC=C)C(=O)C[P+](CCCC)(CCCC)CCCC.[Cl-]
InChIInChI=1S/C20H39NOP.ClH/c1-6-11-16-23(17-12-7-2,18-13-8-3)19-20(22)21(14-9-4)15-10-5;/h9-10H,4-8,11-19H2,1-3H3;1H/q+1;/p-1
InChIKeyKZDDZPLRSLQWAC-UHFFFAOYSA-M
MW375.97 g/mol
LogP2.61
Rot. Bonds15

About [2-[bis(prop-2-enyl)amino]-2-oxoethyl]-tributylphosphanium chloride

[2-[bis(prop-2-enyl)amino]-2-oxoethyl]-tributylphosphanium chloride (PubChem CID 88846025) has the molecular formula C20H39ClNOP and a molecular weight of 375.97 g/mol. Its IUPAC name is [2-[bis(prop-2-enyl)amino]-2-oxoethyl]-tributylphosphanium chloride.

Molecular Properties

Compound Name[2-[bis(prop-2-enyl)amino]-2-oxoethyl]-tributylphosphanium chloride
PubChem CID88846025
Molecular FormulaC20H39ClNOP
Molecular Weight375.97 g/mol
Exact Mass375.25
IUPAC Name[2-[bis(prop-2-enyl)amino]-2-oxoethyl]-tributylphosphanium chloride
SMILESC=CCN(CC=C)C(=O)C[P+](CCCC)(CCCC)CCCC.[Cl-]
InChIInChI=1S/C20H39NOP.ClH/c1-6-11-16-23(17-12-7-2,18-13-8-3)19-20(22)21(14-9-4)15-10-5;/h9-10H,4-8,11-19H2,1-3H3;1H/q+1;/p-1
InChIKeyKZDDZPLRSLQWAC-UHFFFAOYSA-M
XLogP2.61
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds15
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.97
LogP ≤ 52.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze [2-[bis(prop-2-enyl)amino]-2-oxoethyl]-tributylphosphanium chloride 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

tributyl(2-prop-2-enoyloxyethyl)phosphanium chloride
CID 11221390
tributyl(carboxymethyl)phosphanium;hydrochloride
CID 87779051
4-amino-3-methyl-N,N-bis(prop-2-enyl)butanamide
CID 81070887
2-hydroxy-N,N-bis(prop-2-enyl)acetamide
CID 13241436
2-[dodecanoyl(prop-2-enyl)amino]acetic acid
CID 79264275
pentyl N,N-bis(prop-2-enyl)carbamate
CID 88848482
N-dec-9-enyl-N-decyl-3-hexyltetradecanamide
CID 20565310
1-[bis(prop-2-enyl)azaniumyl]decyl-bis(prop-2-enyl)azanium;2-heptyl-N,N,N',N'-tetrakis(prop-2-enyl)propanediamide;dichloride
CID 161037071
tributyl(ethyl)phosphanium;yttrium
CID 157495061
2-fluoro-N,N-bis(prop-2-enyl)acetamide
CID 176847586
N,N-diethyl-2-prop-2-enylhexanamide
CID 10680018
tributyl(4-prop-2-enoyloxybutyl)phosphanium
CID 18779276

Frequently Asked Questions

What is the IUPAC name of [2-[bis(prop-2-enyl)amino]-2-oxoethyl]-tributylphosphanium chloride?
The IUPAC name of [2-[bis(prop-2-enyl)amino]-2-oxoethyl]-tributylphosphanium chloride (CID 88846025) is [2-[bis(prop-2-enyl)amino]-2-oxoethyl]-tributylphosphanium chloride.
What is the SMILES notation for [2-[bis(prop-2-enyl)amino]-2-oxoethyl]-tributylphosphanium chloride?
The canonical SMILES for [2-[bis(prop-2-enyl)amino]-2-oxoethyl]-tributylphosphanium chloride is C=CCN(CC=C)C(=O)C[P+](CCCC)(CCCC)CCCC.[Cl-].
What is the InChIKey of [2-[bis(prop-2-enyl)amino]-2-oxoethyl]-tributylphosphanium chloride?
The InChIKey is KZDDZPLRSLQWAC-UHFFFAOYSA-M. The full InChI is InChI=1S/C20H39NOP.ClH/c1-6-11-16-23(17-12-7-2,18-13-8-3)19-20(22)21(14-9-4)15-10-5;/h9-10H,4-8,11-19H2,1-3H3;1H/q+1;/p-1.
What are the key properties of [2-[bis(prop-2-enyl)amino]-2-oxoethyl]-tributylphosphanium chloride?
[2-[bis(prop-2-enyl)amino]-2-oxoethyl]-tributylphosphanium chloride has a molecular weight of 375.97 g/mol, XLogP of 2.61, 15 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[bis(prop-2-enyl)amino]-2-oxoethyl]-tributylphosphanium chloride is sourced from PubChem (CID 88846025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).