2-formyl-N-[2-[2-(2-iodophosphanyloxyethoxy)ethoxy]ethyl]-N-methylbenzamide

C15H21INO5P — CID 142462979

IUPAC2-formyl-N-[2-[2-(2-iodophosphanyloxyethoxy)ethoxy]ethyl]-N-methylbenzamide
SMILESCN(CCOCCOCCOPI)C(=O)c1ccccc1C=O
InChIInChI=1S/C15H21INO5P/c1-17(6-7-20-8-9-21-10-11-22-23-16)15(19)14-5-3-2-4-13(14)12-18/h2-5,12,23H,6-11H2,1H3
InChIKeyUCSWRMQSENUERV-UHFFFAOYSA-N
MW453.21 g/mol
LogP2.56
Rot. Bonds12

About 2-formyl-N-[2-[2-(2-iodophosphanyloxyethoxy)ethoxy]ethyl]-N-methylbenzamide

2-formyl-N-[2-[2-(2-iodophosphanyloxyethoxy)ethoxy]ethyl]-N-methylbenzamide (PubChem CID 142462979) has the molecular formula C15H21INO5P and a molecular weight of 453.21 g/mol. Its IUPAC name is 2-formyl-N-[2-[2-(2-iodophosphanyloxyethoxy)ethoxy]ethyl]-N-methylbenzamide.

Molecular Properties

Compound Name2-formyl-N-[2-[2-(2-iodophosphanyloxyethoxy)ethoxy]ethyl]-N-methylbenzamide
PubChem CID142462979
Molecular FormulaC15H21INO5P
Molecular Weight453.21 g/mol
Exact Mass453.02
IUPAC Name2-formyl-N-[2-[2-(2-iodophosphanyloxyethoxy)ethoxy]ethyl]-N-methylbenzamide
SMILESCN(CCOCCOCCOPI)C(=O)c1ccccc1C=O
InChIInChI=1S/C15H21INO5P/c1-17(6-7-20-8-9-21-10-11-22-23-16)15(19)14-5-3-2-4-13(14)12-18/h2-5,12,23H,6-11H2,1H3
InChIKeyUCSWRMQSENUERV-UHFFFAOYSA-N
XLogP2.56
TPSA65.07 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds12
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500453.21
LogP ≤ 52.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-formyl-N-heptyl-N-methylbenzamide
CID 144774360
2-[2-(2-hydroxyethoxy)ethyl-methylcarbamoyl]benzoic acid
CID 114243031
N-(5,6-dihydroxyhexyl)-2-formyl-N-methylbenzamide
CID 130371515
ethoxy-[5-[(2-formylbenzoyl)-methylamino]pentyl]-oxophosphanium
CID 170966342
N-(2-ethoxyethyl)-N-methylbenzamide
CID 81074695
2-[2-ethoxyethyl(methyl)carbamoyl]benzoic acid
CID 81059788
2-formyl-N-methyl-N-[2-(2-oxopyrrolidin-1-yl)ethyl]benzamide
CID 153346628
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
N-[2-[bis[(4-methoxyphenyl)methyl]amino]sulfanylethyl]-2-formyl-N-methylbenzamide
CID 134558768
2-formamido-5-hydroxy-N-(3-iodophosphanyloxypropyl)-N-methylpyridine-3-carboxamide
CID 145017430
2-[2-[2-[2-[formyl-(2-methylbenzoyl)amino]ethoxy]ethyl-[2-[2-[methyl-(2-methylbenzoyl)amino]ethoxy]ethyl]amino]-2-oxoethoxy]acetic acid
CID 142997843

Frequently Asked Questions

What is the IUPAC name of 2-formyl-N-[2-[2-(2-iodophosphanyloxyethoxy)ethoxy]ethyl]-N-methylbenzamide?
The IUPAC name of 2-formyl-N-[2-[2-(2-iodophosphanyloxyethoxy)ethoxy]ethyl]-N-methylbenzamide (CID 142462979) is 2-formyl-N-[2-[2-(2-iodophosphanyloxyethoxy)ethoxy]ethyl]-N-methylbenzamide.
What is the SMILES notation for 2-formyl-N-[2-[2-(2-iodophosphanyloxyethoxy)ethoxy]ethyl]-N-methylbenzamide?
The canonical SMILES for 2-formyl-N-[2-[2-(2-iodophosphanyloxyethoxy)ethoxy]ethyl]-N-methylbenzamide is CN(CCOCCOCCOPI)C(=O)c1ccccc1C=O.
What is the InChIKey of 2-formyl-N-[2-[2-(2-iodophosphanyloxyethoxy)ethoxy]ethyl]-N-methylbenzamide?
The InChIKey is UCSWRMQSENUERV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21INO5P/c1-17(6-7-20-8-9-21-10-11-22-23-16)15(19)14-5-3-2-4-13(14)12-18/h2-5,12,23H,6-11H2,1H3.
What are the key properties of 2-formyl-N-[2-[2-(2-iodophosphanyloxyethoxy)ethoxy]ethyl]-N-methylbenzamide?
2-formyl-N-[2-[2-(2-iodophosphanyloxyethoxy)ethoxy]ethyl]-N-methylbenzamide has a molecular weight of 453.21 g/mol, XLogP of 2.56, 12 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-formyl-N-[2-[2-(2-iodophosphanyloxyethoxy)ethoxy]ethyl]-N-methylbenzamide is sourced from PubChem (CID 142462979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).