1-[2-(dimethylamino)-2-(4-methoxyphenyl)ethyl]-3-(2-iodophenyl)urea

C18H22IN3O2 — CID 55697090

IUPAC1-[2-(dimethylamino)-2-(4-methoxyphenyl)ethyl]-3-(2-iodophenyl)urea
SMILESCOc1ccc(C(CNC(=O)Nc2ccccc2I)N(C)C)cc1
InChIInChI=1S/C18H22IN3O2/c1-22(2)17(13-8-10-14(24-3)11-9-13)12-20-18(23)21-16-7-5-4-6-15(16)19/h4-11,17H,12H2,1-3H3,(H2,20,21,23)
InChIKeyMZHQSFYHDJBZCL-UHFFFAOYSA-N
MW439.30 g/mol
LogP3.72
Rot. Bonds6

About 1-[2-(dimethylamino)-2-(4-methoxyphenyl)ethyl]-3-(2-iodophenyl)urea

1-[2-(dimethylamino)-2-(4-methoxyphenyl)ethyl]-3-(2-iodophenyl)urea (PubChem CID 55697090) has the molecular formula C18H22IN3O2 and a molecular weight of 439.30 g/mol. Its IUPAC name is 1-[2-(dimethylamino)-2-(4-methoxyphenyl)ethyl]-3-(2-iodophenyl)urea.

Molecular Properties

Compound Name1-[2-(dimethylamino)-2-(4-methoxyphenyl)ethyl]-3-(2-iodophenyl)urea
PubChem CID55697090
Molecular FormulaC18H22IN3O2
Molecular Weight439.30 g/mol
Exact Mass439.08
IUPAC Name1-[2-(dimethylamino)-2-(4-methoxyphenyl)ethyl]-3-(2-iodophenyl)urea
SMILESCOc1ccc(C(CNC(=O)Nc2ccccc2I)N(C)C)cc1
InChIInChI=1S/C18H22IN3O2/c1-22(2)17(13-8-10-14(24-3)11-9-13)12-20-18(23)21-16-7-5-4-6-15(16)19/h4-11,17H,12H2,1-3H3,(H2,20,21,23)
InChIKeyMZHQSFYHDJBZCL-UHFFFAOYSA-N
XLogP3.72
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.30
LogP ≤ 53.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-[2-(dimethylamino)-2-(4-methoxyphenyl)ethyl]-3-(2-methoxyphenyl)urea
CID 51168501
1-[(2R)-2-(dimethylamino)-2-(4-methoxyphenyl)ethyl]-3-(2-phenoxy-3-pyridinyl)urea
CID 51953485
1-(4-chlorophenyl)-3-[2-(dimethylamino)-2-(4-methoxyphenyl)ethyl]urea
CID 43001414
N-[2-(dimethylamino)-2-(4-methoxyphenyl)ethyl]-2-(2-methoxyphenyl)acetamide
CID 46446864
1-cyclopropyl-3-[2-(dimethylamino)-2-(4-methoxyphenyl)ethyl]urea
CID 112501881
N-[2-(dimethylamino)-2-(4-methoxyphenyl)ethyl]-2-hydroxybenzamide
CID 3951994
1-[(2S)-2-(dimethylamino)-2-(4-methoxyphenyl)ethyl]-3-(2-methylphenyl)thiourea
CID 8681958
1-[(2S)-2-(dimethylamino)-2-(4-methoxyphenyl)ethyl]-3-(5-methyl-1,3,4-thiadiazol-2-yl)urea
CID 94024716
4-[[2-(dimethylamino)-2-(4-methoxyphenyl)ethyl]carbamoylamino]-N-[(2-fluorophenyl)methyl]benzamide
CID 55769855
N-[2-(dimethylamino)-2-(4-methoxyphenyl)ethyl]-3-(2-hydroxyphenyl)propanamide
CID 134057068
1-[2-(dimethylamino)-2-(4-methoxyphenyl)ethyl]-3-(2-methyl-4-pyrimidin-2-ylsulfanylphenyl)urea
CID 56554771
1-[2-(dimethylamino)-2-(4-methoxyphenyl)ethyl]-3-(1-methyl-6-oxo-3-pyridinyl)urea
CID 146080958

Frequently Asked Questions

What is the IUPAC name of 1-[2-(dimethylamino)-2-(4-methoxyphenyl)ethyl]-3-(2-iodophenyl)urea?
The IUPAC name of 1-[2-(dimethylamino)-2-(4-methoxyphenyl)ethyl]-3-(2-iodophenyl)urea (CID 55697090) is 1-[2-(dimethylamino)-2-(4-methoxyphenyl)ethyl]-3-(2-iodophenyl)urea.
What is the SMILES notation for 1-[2-(dimethylamino)-2-(4-methoxyphenyl)ethyl]-3-(2-iodophenyl)urea?
The canonical SMILES for 1-[2-(dimethylamino)-2-(4-methoxyphenyl)ethyl]-3-(2-iodophenyl)urea is COc1ccc(C(CNC(=O)Nc2ccccc2I)N(C)C)cc1.
What is the InChIKey of 1-[2-(dimethylamino)-2-(4-methoxyphenyl)ethyl]-3-(2-iodophenyl)urea?
The InChIKey is MZHQSFYHDJBZCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22IN3O2/c1-22(2)17(13-8-10-14(24-3)11-9-13)12-20-18(23)21-16-7-5-4-6-15(16)19/h4-11,17H,12H2,1-3H3,(H2,20,21,23).
What are the key properties of 1-[2-(dimethylamino)-2-(4-methoxyphenyl)ethyl]-3-(2-iodophenyl)urea?
1-[2-(dimethylamino)-2-(4-methoxyphenyl)ethyl]-3-(2-iodophenyl)urea has a molecular weight of 439.30 g/mol, XLogP of 3.72, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(dimethylamino)-2-(4-methoxyphenyl)ethyl]-3-(2-iodophenyl)urea is sourced from PubChem (CID 55697090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).