ethoxy-[5-[(2-formylbenzoyl)-methylamino]pentyl]-oxophosphanium

C16H23NO4P+ — CID 170966342

IUPACethoxy-[5-[(2-formylbenzoyl)-methylamino]pentyl]-oxophosphanium
SMILESCCO[P+](=O)CCCCCN(C)C(=O)c1ccccc1C=O
InChIInChI=1S/C16H23NO4P/c1-3-21-22(20)12-8-4-7-11-17(2)16(19)15-10-6-5-9-14(15)13-18/h5-6,9-10,13H,3-4,7-8,11-12H2,1-2H3/q+1
InChIKeyRHHYQOJZNAKANW-UHFFFAOYSA-N
MW324.34 g/mol
LogP3.52
Rot. Bonds10

About ethoxy-[5-[(2-formylbenzoyl)-methylamino]pentyl]-oxophosphanium

ethoxy-[5-[(2-formylbenzoyl)-methylamino]pentyl]-oxophosphanium (PubChem CID 170966342) has the molecular formula C16H23NO4P+ and a molecular weight of 324.34 g/mol. Its IUPAC name is ethoxy-[5-[(2-formylbenzoyl)-methylamino]pentyl]-oxophosphanium.

Molecular Properties

Compound Nameethoxy-[5-[(2-formylbenzoyl)-methylamino]pentyl]-oxophosphanium
PubChem CID170966342
Molecular FormulaC16H23NO4P+
Molecular Weight324.34 g/mol
Exact Mass324.14
IUPAC Nameethoxy-[5-[(2-formylbenzoyl)-methylamino]pentyl]-oxophosphanium
SMILESCCO[P+](=O)CCCCCN(C)C(=O)c1ccccc1C=O
InChIInChI=1S/C16H23NO4P/c1-3-21-22(20)12-8-4-7-11-17(2)16(19)15-10-6-5-9-14(15)13-18/h5-6,9-10,13H,3-4,7-8,11-12H2,1-2H3/q+1
InChIKeyRHHYQOJZNAKANW-UHFFFAOYSA-N
XLogP3.52
TPSA63.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.34
LogP ≤ 53.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-formyl-N-heptyl-N-methylbenzamide
CID 144774360
N-(5,6-dihydroxyhexyl)-2-formyl-N-methylbenzamide
CID 130371515
N-[3-[benzyl(ethyl)amino]propyl]-2-formyl-N-methylbenzamide
CID 139304498
ethyl-[[4-[[2-[(2-formylbenzoyl)-methylamino]ethyl-dimethylazaniumyl]methyl]phenyl]methyl]-dimethylazanium
CID 165403293
2-formyl-N-[2-[2-(2-iodophosphanyloxyethoxy)ethoxy]ethyl]-N-methylbenzamide
CID 142462979
2-formyl-N-methyl-N-[2-(2-oxopyrrolidin-1-yl)ethyl]benzamide
CID 153346628
N-[2-[bis[(4-methoxyphenyl)methyl]amino]sulfanylethyl]-2-formyl-N-methylbenzamide
CID 134558768
(Z)-but-2-ene;N-(3-chloro-2-hydroxypropyl)-2-formyl-N-methylbenzamide;propane
CID 143985176
N-[(E,2Z)-4-amino-2-[amino(chloro)methylidene]-4-hydroxybut-3-enyl]-2-formyl-N-methylbenzamide
CID 146252180
[(2-formylbenzoyl)-methylamino] thiohypofluorite
CID 155149630
N-(5-hydroxypentyl)-2-iodo-N-methylbenzamide
CID 107199930
N-(3-aminopropyl)-2-iodo-N-methylbenzamide
CID 81483846

Frequently Asked Questions

What is the IUPAC name of ethoxy-[5-[(2-formylbenzoyl)-methylamino]pentyl]-oxophosphanium?
The IUPAC name of ethoxy-[5-[(2-formylbenzoyl)-methylamino]pentyl]-oxophosphanium (CID 170966342) is ethoxy-[5-[(2-formylbenzoyl)-methylamino]pentyl]-oxophosphanium.
What is the SMILES notation for ethoxy-[5-[(2-formylbenzoyl)-methylamino]pentyl]-oxophosphanium?
The canonical SMILES for ethoxy-[5-[(2-formylbenzoyl)-methylamino]pentyl]-oxophosphanium is CCO[P+](=O)CCCCCN(C)C(=O)c1ccccc1C=O.
What is the InChIKey of ethoxy-[5-[(2-formylbenzoyl)-methylamino]pentyl]-oxophosphanium?
The InChIKey is RHHYQOJZNAKANW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO4P/c1-3-21-22(20)12-8-4-7-11-17(2)16(19)15-10-6-5-9-14(15)13-18/h5-6,9-10,13H,3-4,7-8,11-12H2,1-2H3/q+1.
What are the key properties of ethoxy-[5-[(2-formylbenzoyl)-methylamino]pentyl]-oxophosphanium?
ethoxy-[5-[(2-formylbenzoyl)-methylamino]pentyl]-oxophosphanium has a molecular weight of 324.34 g/mol, XLogP of 3.52, 10 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethoxy-[5-[(2-formylbenzoyl)-methylamino]pentyl]-oxophosphanium is sourced from PubChem (CID 170966342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).