N-(2,6-dioxoheptan-3-yl)-2-[2-[2-(iodoamino)ethoxy]ethoxy]acetamide

C13H23IN2O5 — CID 166964565

IUPACN-(2,6-dioxoheptan-3-yl)-2-[2-[2-(iodoamino)ethoxy]ethoxy]acetamide
SMILESCC(=O)CCC(NC(=O)COCCOCCNI)C(C)=O
InChIInChI=1S/C13H23IN2O5/c1-10(17)3-4-12(11(2)18)16-13(19)9-21-8-7-20-6-5-15-14/h12,15H,3-9H2,1-2H3,(H,16,19)
InChIKeyPQAAHNDZDQAGEQ-UHFFFAOYSA-N
MW414.24 g/mol
LogP0.40
Rot. Bonds13

About N-(2,6-dioxoheptan-3-yl)-2-[2-[2-(iodoamino)ethoxy]ethoxy]acetamide

N-(2,6-dioxoheptan-3-yl)-2-[2-[2-(iodoamino)ethoxy]ethoxy]acetamide (PubChem CID 166964565) has the molecular formula C13H23IN2O5 and a molecular weight of 414.24 g/mol. Its IUPAC name is N-(2,6-dioxoheptan-3-yl)-2-[2-[2-(iodoamino)ethoxy]ethoxy]acetamide.

Molecular Properties

Compound NameN-(2,6-dioxoheptan-3-yl)-2-[2-[2-(iodoamino)ethoxy]ethoxy]acetamide
PubChem CID166964565
Molecular FormulaC13H23IN2O5
Molecular Weight414.24 g/mol
Exact Mass414.07
IUPAC NameN-(2,6-dioxoheptan-3-yl)-2-[2-[2-(iodoamino)ethoxy]ethoxy]acetamide
SMILESCC(=O)CCC(NC(=O)COCCOCCNI)C(C)=O
InChIInChI=1S/C13H23IN2O5/c1-10(17)3-4-12(11(2)18)16-13(19)9-21-8-7-20-6-5-15-14/h12,15H,3-9H2,1-2H3,(H,16,19)
InChIKeyPQAAHNDZDQAGEQ-UHFFFAOYSA-N
XLogP0.40
TPSA93.73 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds13
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.24
LogP ≤ 50.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}, {'alert_name': 'N-halo', 'substructure': 'N/A'}

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Related Compounds

4-[[2-[2-[2-(iodoamino)ethoxy]ethoxy]acetyl]amino]-5-oxohexanoyl iodide
CID 166964505
1-[2-[2-[2-[2-(iodoamino)ethoxy]ethoxy]ethoxy]ethoxy]propan-2-one
CID 134579487
18-[[4-[2-[2-[2-[(1-carboxy-4-oxopentan-3-yl)amino]-2-oxoethoxy]ethoxy]ethylamino]-4-oxobutyl]amino]-18-oxooctadecanoic acid
CID 139387522
(2S)-2-[[(4S)-4-[[2-[2-[2-[[2-[2-(2-aminopropoxy)ethoxy]acetyl]amino]ethoxy]ethoxy]acetyl]amino]-4-carboxybutanoyl]amino]-5-oxohexanoic acid
CID 122550543
14-[[(1S)-1-carboxy-4-[2-[2-[2-[2-[2-[2-[[1-carboxy-4-[[(1S)-1-carboxy-4-oxopentyl]amino]-4-oxobutyl]amino]-2-oxoethoxy]ethoxy]ethylamino]-2-oxoethoxy]ethoxy]ethylamino]-4-oxobutyl]amino]-14-oxotetradecanoic acid
CID 139387449
18-[[(1S)-1-carboxy-4-[2-[2-[2-[2-[2-[2-[[(1S)-1-carboxy-4-[[(1S)-1-carboxy-4-oxopentyl]amino]-4-oxobutyl]amino]-2-oxoethoxy]ethoxy]ethylamino]-2-oxoethoxy]ethoxy]ethylamino]-4-oxobutyl]amino]-18-oxooctadecanoic acid
CID 89469941
8-[[1-carboxy-4-[2-[2-[2-[2-[2-[2-[[1-carboxy-4-[(1-carboxy-4-oxopentyl)amino]-4-oxobutyl]amino]-2-oxoethoxy]ethoxy]ethylamino]-2-oxoethoxy]ethoxy]ethylamino]-4-oxobutyl]amino]-8-oxooctanoic acid
CID 123650826
14-[2-[2-[2-[[(1S)-1-carboxy-4-oxo-4-[2-[2-(2-oxopropoxy)ethoxy]ethylamino]butyl]amino]-2-oxoethoxy]ethoxy]ethylamino]-14-oxotetradecanoic acid
CID 149148398
(2R)-2-[3-[[(1S)-1-carboxy-4-oxopentyl]amino]-3-oxopropyl]-5-[2-[2-(methylamino)ethoxy]ethoxy]-4-oxopentanoic acid
CID 159320628
2-[2-[2-(tert-butylamino)ethoxy]ethoxy]-N-(2,2,7-trimethyl-3-oxooct-7-en-4-yl)acetamide
CID 170405058
2-methyl-5-oxo-5-[2-[2-[2-oxo-2-[2-[2-(2-oxopropoxy)ethoxy]ethylamino]ethoxy]ethoxy]ethylamino]pentanoic acid
CID 130331562
(2R)-2-[3-[[(1S)-1-carboxy-4-oxopentyl]amino]-3-oxopropyl]-5-[2-[2-[(2-ethoxyacetyl)amino]ethoxy]ethoxy]-4-oxopentanoic acid
CID 157415749

Frequently Asked Questions

What is the IUPAC name of N-(2,6-dioxoheptan-3-yl)-2-[2-[2-(iodoamino)ethoxy]ethoxy]acetamide?
The IUPAC name of N-(2,6-dioxoheptan-3-yl)-2-[2-[2-(iodoamino)ethoxy]ethoxy]acetamide (CID 166964565) is N-(2,6-dioxoheptan-3-yl)-2-[2-[2-(iodoamino)ethoxy]ethoxy]acetamide.
What is the SMILES notation for N-(2,6-dioxoheptan-3-yl)-2-[2-[2-(iodoamino)ethoxy]ethoxy]acetamide?
The canonical SMILES for N-(2,6-dioxoheptan-3-yl)-2-[2-[2-(iodoamino)ethoxy]ethoxy]acetamide is CC(=O)CCC(NC(=O)COCCOCCNI)C(C)=O.
What is the InChIKey of N-(2,6-dioxoheptan-3-yl)-2-[2-[2-(iodoamino)ethoxy]ethoxy]acetamide?
The InChIKey is PQAAHNDZDQAGEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23IN2O5/c1-10(17)3-4-12(11(2)18)16-13(19)9-21-8-7-20-6-5-15-14/h12,15H,3-9H2,1-2H3,(H,16,19).
What are the key properties of N-(2,6-dioxoheptan-3-yl)-2-[2-[2-(iodoamino)ethoxy]ethoxy]acetamide?
N-(2,6-dioxoheptan-3-yl)-2-[2-[2-(iodoamino)ethoxy]ethoxy]acetamide has a molecular weight of 414.24 g/mol, XLogP of 0.40, 13 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,6-dioxoheptan-3-yl)-2-[2-[2-(iodoamino)ethoxy]ethoxy]acetamide is sourced from PubChem (CID 166964565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).