[3-(4-iodophenyl)-2,2-dimethylpropyl]carbamic acid

C12H16INO2 — CID 69036950

IUPAC[3-(4-iodophenyl)-2,2-dimethylpropyl]carbamic acid
SMILESCC(C)(CNC(=O)O)Cc1ccc(I)cc1
InChIInChI=1S/C12H16INO2/c1-12(2,8-14-11(15)16)7-9-3-5-10(13)6-4-9/h3-6,14H,7-8H2,1-2H3,(H,15,16)
InChIKeyWUHACNVEIMIDJS-UHFFFAOYSA-N
MW333.17 g/mol
LogP3.13
Rot. Bonds4

About [3-(4-iodophenyl)-2,2-dimethylpropyl]carbamic acid

[3-(4-iodophenyl)-2,2-dimethylpropyl]carbamic acid (PubChem CID 69036950) has the molecular formula C12H16INO2 and a molecular weight of 333.17 g/mol. Its IUPAC name is [3-(4-iodophenyl)-2,2-dimethylpropyl]carbamic acid.

Molecular Properties

Compound Name[3-(4-iodophenyl)-2,2-dimethylpropyl]carbamic acid
PubChem CID69036950
Molecular FormulaC12H16INO2
Molecular Weight333.17 g/mol
Exact Mass333.02
IUPAC Name[3-(4-iodophenyl)-2,2-dimethylpropyl]carbamic acid
SMILESCC(C)(CNC(=O)O)Cc1ccc(I)cc1
InChIInChI=1S/C12H16INO2/c1-12(2,8-14-11(15)16)7-9-3-5-10(13)6-4-9/h3-6,14H,7-8H2,1-2H3,(H,15,16)
InChIKeyWUHACNVEIMIDJS-UHFFFAOYSA-N
XLogP3.13
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.17
LogP ≤ 53.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

[2,2-dimethyl-3-(4-methylphenyl)propyl]urea
CID 20825966
1-(3-chloro-2,2-dimethylpropyl)-4-iodobenzene
CID 66060397
2-ethyl-2-[(4-iodophenyl)methyl]butanoic acid
CID 65479075
2-amino-N-(2,2-dimethyl-3-phenylpropyl)acetamide
CID 119329644
2-[(4-iodophenyl)methyl]-3-methoxy-2-methyl-3-oxopropanoic acid
CID 114899572
1-amino-N-(2,2-dimethyl-3-phenylpropyl)cyclopentane-1-carboxamide
CID 119329656
2-[(4-iodophenyl)methyl]-2,3-dimethylbutanoic acid
CID 83149161
N-(2,2-dimethyl-3-phenylpropyl)-2-fluoroprop-2-enamide
CID 167910106
tert-butyl N-[2-(hydroxymethyl)-3-(4-iodophenyl)-2-methylpropyl]carbamate
CID 106508729
ethyl (2R)-2-amino-3-(4-iodophenyl)-2-methylpropanoate
CID 131875959
N-tert-butyl-4-(4-iodophenyl)-3,3-dimethylbutan-1-amine
CID 81033423
(2S)-2-amino-1-(4-iodophenyl)propan-2-ol
CID 119090994

Frequently Asked Questions

What is the IUPAC name of [3-(4-iodophenyl)-2,2-dimethylpropyl]carbamic acid?
The IUPAC name of [3-(4-iodophenyl)-2,2-dimethylpropyl]carbamic acid (CID 69036950) is [3-(4-iodophenyl)-2,2-dimethylpropyl]carbamic acid.
What is the SMILES notation for [3-(4-iodophenyl)-2,2-dimethylpropyl]carbamic acid?
The canonical SMILES for [3-(4-iodophenyl)-2,2-dimethylpropyl]carbamic acid is CC(C)(CNC(=O)O)Cc1ccc(I)cc1.
What is the InChIKey of [3-(4-iodophenyl)-2,2-dimethylpropyl]carbamic acid?
The InChIKey is WUHACNVEIMIDJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16INO2/c1-12(2,8-14-11(15)16)7-9-3-5-10(13)6-4-9/h3-6,14H,7-8H2,1-2H3,(H,15,16).
What are the key properties of [3-(4-iodophenyl)-2,2-dimethylpropyl]carbamic acid?
[3-(4-iodophenyl)-2,2-dimethylpropyl]carbamic acid has a molecular weight of 333.17 g/mol, XLogP of 3.13, 4 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(4-iodophenyl)-2,2-dimethylpropyl]carbamic acid is sourced from PubChem (CID 69036950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).