[2-[2-(diethylcarbamoylamino)ethyl]phenyl]-(4-methoxyphenyl)iodanium

C20H26IN2O2+ — CID 62707549

IUPAC[2-[2-(diethylcarbamoylamino)ethyl]phenyl]-(4-methoxyphenyl)iodanium
SMILESCCN(CC)C(=O)NCCc1ccccc1[I+]c1ccc(OC)cc1
InChIInChI=1S/C20H25IN2O2/c1-4-23(5-2)20(24)22-15-14-16-8-6-7-9-19(16)21-17-10-12-18(25-3)13-11-17/h6-13H,4-5,14-15H2,1-3H3/p+1
InChIKeyJUSVQDGKBGSGLV-UHFFFAOYSA-O
MW453.34 g/mol
LogP0.42
Rot. Bonds8

About [2-[2-(diethylcarbamoylamino)ethyl]phenyl]-(4-methoxyphenyl)iodanium

[2-[2-(diethylcarbamoylamino)ethyl]phenyl]-(4-methoxyphenyl)iodanium (PubChem CID 62707549) has the molecular formula C20H26IN2O2+ and a molecular weight of 453.34 g/mol. Its IUPAC name is [2-[2-(diethylcarbamoylamino)ethyl]phenyl]-(4-methoxyphenyl)iodanium.

Molecular Properties

Compound Name[2-[2-(diethylcarbamoylamino)ethyl]phenyl]-(4-methoxyphenyl)iodanium
PubChem CID62707549
Molecular FormulaC20H26IN2O2+
Molecular Weight453.34 g/mol
Exact Mass453.10
IUPAC Name[2-[2-(diethylcarbamoylamino)ethyl]phenyl]-(4-methoxyphenyl)iodanium
SMILESCCN(CC)C(=O)NCCc1ccccc1[I+]c1ccc(OC)cc1
InChIInChI=1S/C20H25IN2O2/c1-4-23(5-2)20(24)22-15-14-16-8-6-7-9-19(16)21-17-10-12-18(25-3)13-11-17/h6-13H,4-5,14-15H2,1-3H3/p+1
InChIKeyJUSVQDGKBGSGLV-UHFFFAOYSA-O
XLogP0.42
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500453.34
LogP ≤ 50.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-[2-(2,4-dimethoxyphenyl)ethyl]-1,1-diethylurea
CID 110601497
1-ethyl-1-[(4-methoxyphenyl)methyl]-3-(2-phenylethyl)urea
CID 71889703
[2-(2-acetamidoethyl)phenyl]-(4-chlorophenyl)iodanium
CID 62707379
1,1-diethyl-3-[(4-methoxyphenyl)methyl]urea
CID 2988168
1,1-diethyl-3-[2-[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]ethyl]urea
CID 110317498
1-ethyl-3-[2-(4-methoxyphenyl)ethyl]-1-phenylurea
CID 108901911
3-[2-(2-bromophenyl)ethyl]-1-ethyl-1-(2-hydroxyethyl)urea
CID 49132868
N,N-diethyl-2-[2-(methylamino)ethyl]benzamide
CID 104547231
3-[ethyl-[2-(3-methoxyphenyl)ethylcarbamoyl]amino]propanoic acid
CID 107843104
1-ethyl-3-[2-(2-fluorophenyl)ethyl]-1-methylurea
CID 115603918
1,1-diethyl-3-(2-pyridin-2-ylethyl)urea
CID 115583070
1,1-diethyl-3-[[1-(4-methoxyphenyl)cyclopropyl]methyl]urea
CID 110445113

Frequently Asked Questions

What is the IUPAC name of [2-[2-(diethylcarbamoylamino)ethyl]phenyl]-(4-methoxyphenyl)iodanium?
The IUPAC name of [2-[2-(diethylcarbamoylamino)ethyl]phenyl]-(4-methoxyphenyl)iodanium (CID 62707549) is [2-[2-(diethylcarbamoylamino)ethyl]phenyl]-(4-methoxyphenyl)iodanium.
What is the SMILES notation for [2-[2-(diethylcarbamoylamino)ethyl]phenyl]-(4-methoxyphenyl)iodanium?
The canonical SMILES for [2-[2-(diethylcarbamoylamino)ethyl]phenyl]-(4-methoxyphenyl)iodanium is CCN(CC)C(=O)NCCc1ccccc1[I+]c1ccc(OC)cc1.
What is the InChIKey of [2-[2-(diethylcarbamoylamino)ethyl]phenyl]-(4-methoxyphenyl)iodanium?
The InChIKey is JUSVQDGKBGSGLV-UHFFFAOYSA-O. The full InChI is InChI=1S/C20H25IN2O2/c1-4-23(5-2)20(24)22-15-14-16-8-6-7-9-19(16)21-17-10-12-18(25-3)13-11-17/h6-13H,4-5,14-15H2,1-3H3/p+1.
What are the key properties of [2-[2-(diethylcarbamoylamino)ethyl]phenyl]-(4-methoxyphenyl)iodanium?
[2-[2-(diethylcarbamoylamino)ethyl]phenyl]-(4-methoxyphenyl)iodanium has a molecular weight of 453.34 g/mol, XLogP of 0.42, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[2-(diethylcarbamoylamino)ethyl]phenyl]-(4-methoxyphenyl)iodanium is sourced from PubChem (CID 62707549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).