1-[2-hydroxy-3-(2-methylpropoxy)propyl]-3-(2-iodophenyl)urea

C14H21IN2O3 — CID 87007219

IUPAC1-[2-hydroxy-3-(2-methylpropoxy)propyl]-3-(2-iodophenyl)urea
SMILESCC(C)COCC(O)CNC(=O)Nc1ccccc1I
InChIInChI=1S/C14H21IN2O3/c1-10(2)8-20-9-11(18)7-16-14(19)17-13-6-4-3-5-12(13)15/h3-6,10-11,18H,7-9H2,1-2H3,(H2,16,17,19)
InChIKeyZTLBOHHRWJRUOE-UHFFFAOYSA-N
MW392.24 g/mol
LogP2.45
Rot. Bonds7

About 1-[2-hydroxy-3-(2-methylpropoxy)propyl]-3-(2-iodophenyl)urea

1-[2-hydroxy-3-(2-methylpropoxy)propyl]-3-(2-iodophenyl)urea (PubChem CID 87007219) has the molecular formula C14H21IN2O3 and a molecular weight of 392.24 g/mol. Its IUPAC name is 1-[2-hydroxy-3-(2-methylpropoxy)propyl]-3-(2-iodophenyl)urea.

Molecular Properties

Compound Name1-[2-hydroxy-3-(2-methylpropoxy)propyl]-3-(2-iodophenyl)urea
PubChem CID87007219
Molecular FormulaC14H21IN2O3
Molecular Weight392.24 g/mol
Exact Mass392.06
IUPAC Name1-[2-hydroxy-3-(2-methylpropoxy)propyl]-3-(2-iodophenyl)urea
SMILESCC(C)COCC(O)CNC(=O)Nc1ccccc1I
InChIInChI=1S/C14H21IN2O3/c1-10(2)8-20-9-11(18)7-16-14(19)17-13-6-4-3-5-12(13)15/h3-6,10-11,18H,7-9H2,1-2H3,(H2,16,17,19)
InChIKeyZTLBOHHRWJRUOE-UHFFFAOYSA-N
XLogP2.45
TPSA70.59 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.24
LogP ≤ 52.45
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-(2,3-difluorophenyl)-3-[2-hydroxy-3-(2-methylpropoxy)propyl]urea
CID 111103722
1-[2-hydroxy-3-(2-methylpropoxy)propyl]-3-(4-phenoxyphenyl)urea
CID 87007221
N-[2-hydroxy-3-(2-methylpropoxy)propyl]-3-phenylprop-2-ynamide
CID 75386334
2-methylpropyl N-(2-iodophenyl)carbamate
CID 546432
2-[[(2-iodophenyl)carbamoylamino]methyl]butanoic acid
CID 65219782
2-[[(2-iodophenyl)carbamoylamino]methyl]pentanoic acid
CID 65219830
N-[3-[(1R)-1-[[(2R)-2-hydroxy-3-(2-methylpropoxy)propyl]carbamoylamino]ethyl]phenyl]acetamide
CID 94060411
1-(2-methylpropoxy)-3-[2-(trifluoromethyl)anilino]propan-2-ol
CID 60898806
1-[2-(dimethylamino)-2-(4-methoxyphenyl)ethyl]-3-(2-iodophenyl)urea
CID 55697090
N-[2-hydroxy-3-(2-methylpropoxy)propyl]-1-phenylcyclopropane-1-carboxamide
CID 111662697
1-[(4S)-3,4-dihydro-2H-chromen-4-yl]-3-[(2R)-2-hydroxy-3-(2-methylpropoxy)propyl]urea
CID 97082558
1-[(4R)-3,4-dihydro-2H-chromen-4-yl]-3-[(2S)-2-hydroxy-3-(2-methylpropoxy)propyl]urea
CID 97082557

Frequently Asked Questions

What is the IUPAC name of 1-[2-hydroxy-3-(2-methylpropoxy)propyl]-3-(2-iodophenyl)urea?
The IUPAC name of 1-[2-hydroxy-3-(2-methylpropoxy)propyl]-3-(2-iodophenyl)urea (CID 87007219) is 1-[2-hydroxy-3-(2-methylpropoxy)propyl]-3-(2-iodophenyl)urea.
What is the SMILES notation for 1-[2-hydroxy-3-(2-methylpropoxy)propyl]-3-(2-iodophenyl)urea?
The canonical SMILES for 1-[2-hydroxy-3-(2-methylpropoxy)propyl]-3-(2-iodophenyl)urea is CC(C)COCC(O)CNC(=O)Nc1ccccc1I.
What is the InChIKey of 1-[2-hydroxy-3-(2-methylpropoxy)propyl]-3-(2-iodophenyl)urea?
The InChIKey is ZTLBOHHRWJRUOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21IN2O3/c1-10(2)8-20-9-11(18)7-16-14(19)17-13-6-4-3-5-12(13)15/h3-6,10-11,18H,7-9H2,1-2H3,(H2,16,17,19).
What are the key properties of 1-[2-hydroxy-3-(2-methylpropoxy)propyl]-3-(2-iodophenyl)urea?
1-[2-hydroxy-3-(2-methylpropoxy)propyl]-3-(2-iodophenyl)urea has a molecular weight of 392.24 g/mol, XLogP of 2.45, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-hydroxy-3-(2-methylpropoxy)propyl]-3-(2-iodophenyl)urea is sourced from PubChem (CID 87007219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).