1-[4-(4-iodo-2-methylbutan-2-yl)oxy-2-methylbutan-2-yl]-3-methylurea

C12H25IN2O2 — CID 144955514

IUPAC1-[4-(4-iodo-2-methylbutan-2-yl)oxy-2-methylbutan-2-yl]-3-methylurea
SMILESCNC(=O)NC(C)(C)CCOC(C)(C)CCI
InChIInChI=1S/C12H25IN2O2/c1-11(2,15-10(16)14-5)7-9-17-12(3,4)6-8-13/h6-9H2,1-5H3,(H2,14,15,16)
InChIKeyCJBRILKORSWWEC-UHFFFAOYSA-N
MW356.25 g/mol
LogP2.70
Rot. Bonds7

About 1-[4-(4-iodo-2-methylbutan-2-yl)oxy-2-methylbutan-2-yl]-3-methylurea

1-[4-(4-iodo-2-methylbutan-2-yl)oxy-2-methylbutan-2-yl]-3-methylurea (PubChem CID 144955514) has the molecular formula C12H25IN2O2 and a molecular weight of 356.25 g/mol. Its IUPAC name is 1-[4-(4-iodo-2-methylbutan-2-yl)oxy-2-methylbutan-2-yl]-3-methylurea.

Molecular Properties

Compound Name1-[4-(4-iodo-2-methylbutan-2-yl)oxy-2-methylbutan-2-yl]-3-methylurea
PubChem CID144955514
Molecular FormulaC12H25IN2O2
Molecular Weight356.25 g/mol
Exact Mass356.10
IUPAC Name1-[4-(4-iodo-2-methylbutan-2-yl)oxy-2-methylbutan-2-yl]-3-methylurea
SMILESCNC(=O)NC(C)(C)CCOC(C)(C)CCI
InChIInChI=1S/C12H25IN2O2/c1-11(2,15-10(16)14-5)7-9-17-12(3,4)6-8-13/h6-9H2,1-5H3,(H2,14,15,16)
InChIKeyCJBRILKORSWWEC-UHFFFAOYSA-N
XLogP2.70
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.25
LogP ≤ 52.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-[4-(4-amino-2-methylbutan-2-yl)oxy-2-methylbutan-2-yl]acetamide
CID 144960921
N-[2-methyl-4-(2-methylpentan-2-yloxy)butan-2-yl]acetamide;propane
CID 144742441
N-[2-methyl-4-(2-methylbutan-2-yloxy)butan-2-yl]acetamide
CID 88555245
N-[4-(2,5-dimethylhexan-2-yloxy)-2-methylbutan-2-yl]acetamide
CID 139539922
methyl N-[2-methyl-4-(2-methyl-5-oxopentan-2-yl)oxybutan-2-yl]carbamate
CID 166658175
1-(1-methoxy-2-methylpropan-2-yl)-3-methylurea
CID 115690659
N-[4-(4-iodo-2,4-dimethylpentan-2-yl)oxy-2-methylbutan-2-yl]-2-[(2-methylpropan-2-yl)oxy]acetamide
CID 170276011
2-methyl-N-[2-methyl-4-[2-methyl-1-(methylamino)propan-2-yl]oxybutan-2-yl]propanamide
CID 177202356
N-[4-[6-(tert-butylamino)-2-methylhexan-2-yl]oxy-2-methylbutan-2-yl]acetamide
CID 162684940
1-(2-azidoethyl)-3-[2-methyl-4-(2-methylhexan-2-yloxy)butan-2-yl]urea
CID 167239906
N-[2-methyl-4-[(2-methylpropan-2-yl)oxy]butan-2-yl]acetamide
CID 123807188
ethane;4-methyl-N-[2-methyl-4-[2-methyl-4-[[2-(methylamino)-2-oxoethyl]amino]butan-2-yl]oxybutan-2-yl]pentanamide
CID 156817336

Frequently Asked Questions

What is the IUPAC name of 1-[4-(4-iodo-2-methylbutan-2-yl)oxy-2-methylbutan-2-yl]-3-methylurea?
The IUPAC name of 1-[4-(4-iodo-2-methylbutan-2-yl)oxy-2-methylbutan-2-yl]-3-methylurea (CID 144955514) is 1-[4-(4-iodo-2-methylbutan-2-yl)oxy-2-methylbutan-2-yl]-3-methylurea.
What is the SMILES notation for 1-[4-(4-iodo-2-methylbutan-2-yl)oxy-2-methylbutan-2-yl]-3-methylurea?
The canonical SMILES for 1-[4-(4-iodo-2-methylbutan-2-yl)oxy-2-methylbutan-2-yl]-3-methylurea is CNC(=O)NC(C)(C)CCOC(C)(C)CCI.
What is the InChIKey of 1-[4-(4-iodo-2-methylbutan-2-yl)oxy-2-methylbutan-2-yl]-3-methylurea?
The InChIKey is CJBRILKORSWWEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25IN2O2/c1-11(2,15-10(16)14-5)7-9-17-12(3,4)6-8-13/h6-9H2,1-5H3,(H2,14,15,16).
What are the key properties of 1-[4-(4-iodo-2-methylbutan-2-yl)oxy-2-methylbutan-2-yl]-3-methylurea?
1-[4-(4-iodo-2-methylbutan-2-yl)oxy-2-methylbutan-2-yl]-3-methylurea has a molecular weight of 356.25 g/mol, XLogP of 2.70, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(4-iodo-2-methylbutan-2-yl)oxy-2-methylbutan-2-yl]-3-methylurea is sourced from PubChem (CID 144955514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).