1-(3-hydroxypropyl)-3-(4-iodo-2-methylphenyl)urea

C11H15IN2O2 — CID 119026718

IUPAC1-(3-hydroxypropyl)-3-(4-iodo-2-methylphenyl)urea
SMILESCc1cc(I)ccc1NC(=O)NCCCO
InChIInChI=1S/C11H15IN2O2/c1-8-7-9(12)3-4-10(8)14-11(16)13-5-2-6-15/h3-4,7,15H,2,5-6H2,1H3,(H2,13,14,16)
InChIKeyOQCPYKHZBUMVFE-UHFFFAOYSA-N
MW334.16 g/mol
LogP2.10
Rot. Bonds4

About 1-(3-hydroxypropyl)-3-(4-iodo-2-methylphenyl)urea

1-(3-hydroxypropyl)-3-(4-iodo-2-methylphenyl)urea (PubChem CID 119026718) has the molecular formula C11H15IN2O2 and a molecular weight of 334.16 g/mol. Its IUPAC name is 1-(3-hydroxypropyl)-3-(4-iodo-2-methylphenyl)urea.

Molecular Properties

Compound Name1-(3-hydroxypropyl)-3-(4-iodo-2-methylphenyl)urea
PubChem CID119026718
Molecular FormulaC11H15IN2O2
Molecular Weight334.16 g/mol
Exact Mass334.02
IUPAC Name1-(3-hydroxypropyl)-3-(4-iodo-2-methylphenyl)urea
SMILESCc1cc(I)ccc1NC(=O)NCCCO
InChIInChI=1S/C11H15IN2O2/c1-8-7-9(12)3-4-10(8)14-11(16)13-5-2-6-15/h3-4,7,15H,2,5-6H2,1H3,(H2,13,14,16)
InChIKeyOQCPYKHZBUMVFE-UHFFFAOYSA-N
XLogP2.10
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.16
LogP ≤ 52.10
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 1-(3-hydroxypropyl)-3-(4-iodo-2-methylphenyl)urea with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(3-hydroxypropyl)-3-(4-methoxy-2-methylphenyl)urea
CID 110933093
1-(4-iodo-2-methylphenyl)-3-(2-phenylethyl)urea
CID 47186088
N-(2-hydroxyethyl)-N'-(4-iodo-2-methylphenyl)oxamide
CID 108516391
1-[3-(1,3-dioxoisoindol-2-yl)propyl]-3-(4-iodo-2-methylphenyl)urea
CID 108889428
1-(4-iodo-2-methylphenyl)-3-methylurea
CID 47127604
1-[2-(2-bromophenyl)ethyl]-3-(4-iodo-2-methylphenyl)urea
CID 108900513
N-[3-(dimethylamino)propyl]-N'-(4-iodo-2-methylphenyl)oxamide
CID 47225107
1-(4-cyclohexylsulfanyl-2-methylphenyl)-3-(3-hydroxypropyl)urea
CID 110911006
N-(4-iodo-2-methylphenyl)-2-methylbutanamide
CID 46511135
N-(2-acetamidoethyl)-N'-(4-iodo-2-methylphenyl)oxamide
CID 47226232
1-(4-amino-2-methylphenyl)-3-butylurea
CID 28785624
1-[2-methyl-4-[3-methyl-4-(octadecylcarbamoylamino)phenyl]phenyl]-3-octadecylurea
CID 15667709

Frequently Asked Questions

What is the IUPAC name of 1-(3-hydroxypropyl)-3-(4-iodo-2-methylphenyl)urea?
The IUPAC name of 1-(3-hydroxypropyl)-3-(4-iodo-2-methylphenyl)urea (CID 119026718) is 1-(3-hydroxypropyl)-3-(4-iodo-2-methylphenyl)urea.
What is the SMILES notation for 1-(3-hydroxypropyl)-3-(4-iodo-2-methylphenyl)urea?
The canonical SMILES for 1-(3-hydroxypropyl)-3-(4-iodo-2-methylphenyl)urea is Cc1cc(I)ccc1NC(=O)NCCCO.
What is the InChIKey of 1-(3-hydroxypropyl)-3-(4-iodo-2-methylphenyl)urea?
The InChIKey is OQCPYKHZBUMVFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15IN2O2/c1-8-7-9(12)3-4-10(8)14-11(16)13-5-2-6-15/h3-4,7,15H,2,5-6H2,1H3,(H2,13,14,16).
What are the key properties of 1-(3-hydroxypropyl)-3-(4-iodo-2-methylphenyl)urea?
1-(3-hydroxypropyl)-3-(4-iodo-2-methylphenyl)urea has a molecular weight of 334.16 g/mol, XLogP of 2.10, 4 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-hydroxypropyl)-3-(4-iodo-2-methylphenyl)urea is sourced from PubChem (CID 119026718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).