1-[3-[2-(dimethylamino)ethoxy]-4-iodophenyl]-3-(3-ethylphenyl)urea

C19H24IN3O2 — CID 54111043

IUPAC1-[3-[2-(dimethylamino)ethoxy]-4-iodophenyl]-3-(3-ethylphenyl)urea
SMILESCCc1cccc(NC(=O)Nc2ccc(I)c(OCCN(C)C)c2)c1
InChIInChI=1S/C19H24IN3O2/c1-4-14-6-5-7-15(12-14)21-19(24)22-16-8-9-17(20)18(13-16)25-11-10-23(2)3/h5-9,12-13H,4,10-11H2,1-3H3,(H2,21,22,24)
InChIKeyNHCDUAUKKIYWFE-UHFFFAOYSA-N
MW453.32 g/mol
LogP4.44
Rot. Bonds7

About 1-[3-[2-(dimethylamino)ethoxy]-4-iodophenyl]-3-(3-ethylphenyl)urea

1-[3-[2-(dimethylamino)ethoxy]-4-iodophenyl]-3-(3-ethylphenyl)urea (PubChem CID 54111043) has the molecular formula C19H24IN3O2 and a molecular weight of 453.32 g/mol. Its IUPAC name is 1-[3-[2-(dimethylamino)ethoxy]-4-iodophenyl]-3-(3-ethylphenyl)urea.

Molecular Properties

Compound Name1-[3-[2-(dimethylamino)ethoxy]-4-iodophenyl]-3-(3-ethylphenyl)urea
PubChem CID54111043
Molecular FormulaC19H24IN3O2
Molecular Weight453.32 g/mol
Exact Mass453.09
IUPAC Name1-[3-[2-(dimethylamino)ethoxy]-4-iodophenyl]-3-(3-ethylphenyl)urea
SMILESCCc1cccc(NC(=O)Nc2ccc(I)c(OCCN(C)C)c2)c1
InChIInChI=1S/C19H24IN3O2/c1-4-14-6-5-7-15(12-14)21-19(24)22-16-8-9-17(20)18(13-16)25-11-10-23(2)3/h5-9,12-13H,4,10-11H2,1-3H3,(H2,21,22,24)
InChIKeyNHCDUAUKKIYWFE-UHFFFAOYSA-N
XLogP4.44
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500453.32
LogP ≤ 54.44
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-[3-[2-(dimethylamino)ethoxy]-N-[(2,3-dimethylphenyl)carbamoyl]-4-iodoanilino]-1-[3-[2-(dimethylamino)ethoxy]-4-iodophenyl]-3-(3-ethylphenyl)urea
CID 57067992
1-(4-bromo-3-methylphenyl)-3-[3-[2-(dimethylamino)ethoxy]-4-iodophenyl]urea;hydrochloride
CID 44533219
1-[3-[2-(dimethylamino)ethoxy]-4-iodophenyl]-3-(2-nitrophenyl)urea
CID 54446553
N-[3-[3-(dimethylamino)propoxy]-4-iodophenyl]acetamide
CID 67633417
1-[1-[2-(dimethylamino)ethyl]pyrazol-3-yl]-3-(3-ethylphenyl)urea
CID 75494374
N-(3-ethylphenyl)-2-[methyl(2-phenoxyethyl)amino]acetamide
CID 26509200
ethyl 4-[(3-ethylphenyl)carbamoylamino]benzoate
CID 46859843
1-(3-chlorophenyl)-3-(3-ethylphenyl)urea
CID 3247942
1-(3-ethylphenyl)-3-[4-(1-hydroxyethyl)phenyl]urea
CID 61348000
N-[3-[2-(dimethylamino)ethoxy]-4-iodophenyl]-4-iodobenzenesulfonamide
CID 10188202
3-(3-ethylphenyl)-1-(2-hydroxyethyl)-1-methylurea
CID 111431118
2-(dimethylamino)ethyl 3-ethylbenzoate
CID 70999207

Frequently Asked Questions

What is the IUPAC name of 1-[3-[2-(dimethylamino)ethoxy]-4-iodophenyl]-3-(3-ethylphenyl)urea?
The IUPAC name of 1-[3-[2-(dimethylamino)ethoxy]-4-iodophenyl]-3-(3-ethylphenyl)urea (CID 54111043) is 1-[3-[2-(dimethylamino)ethoxy]-4-iodophenyl]-3-(3-ethylphenyl)urea.
What is the SMILES notation for 1-[3-[2-(dimethylamino)ethoxy]-4-iodophenyl]-3-(3-ethylphenyl)urea?
The canonical SMILES for 1-[3-[2-(dimethylamino)ethoxy]-4-iodophenyl]-3-(3-ethylphenyl)urea is CCc1cccc(NC(=O)Nc2ccc(I)c(OCCN(C)C)c2)c1.
What is the InChIKey of 1-[3-[2-(dimethylamino)ethoxy]-4-iodophenyl]-3-(3-ethylphenyl)urea?
The InChIKey is NHCDUAUKKIYWFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24IN3O2/c1-4-14-6-5-7-15(12-14)21-19(24)22-16-8-9-17(20)18(13-16)25-11-10-23(2)3/h5-9,12-13H,4,10-11H2,1-3H3,(H2,21,22,24).
What are the key properties of 1-[3-[2-(dimethylamino)ethoxy]-4-iodophenyl]-3-(3-ethylphenyl)urea?
1-[3-[2-(dimethylamino)ethoxy]-4-iodophenyl]-3-(3-ethylphenyl)urea has a molecular weight of 453.32 g/mol, XLogP of 4.44, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[2-(dimethylamino)ethoxy]-4-iodophenyl]-3-(3-ethylphenyl)urea is sourced from PubChem (CID 54111043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).