2-phenylpropan-2-ylcarbamic acid

C10H13NO2 — CID 23445609

IUPAC2-phenylpropan-2-ylcarbamic acid
SMILESCC(C)(NC(=O)O)c1ccccc1
InChIInChI=1S/C10H13NO2/c1-10(2,11-9(12)13)8-6-4-3-5-7-8/h3-7,11H,1-2H3,(H,12,13)
InChIKeyXZFMXWMPAYHNDR-UHFFFAOYSA-N
MW179.22 g/mol
LogP2.19
Rot. Bonds2

About 2-phenylpropan-2-ylcarbamic acid

2-phenylpropan-2-ylcarbamic acid (PubChem CID 23445609) has the molecular formula C10H13NO2 and a molecular weight of 179.22 g/mol. Its IUPAC name is 2-phenylpropan-2-ylcarbamic acid.

Molecular Properties

Compound Name2-phenylpropan-2-ylcarbamic acid
PubChem CID23445609
Molecular FormulaC10H13NO2
Molecular Weight179.22 g/mol
Exact Mass179.09
IUPAC Name2-phenylpropan-2-ylcarbamic acid
SMILESCC(C)(NC(=O)O)c1ccccc1
InChIInChI=1S/C10H13NO2/c1-10(2,11-9(12)13)8-6-4-3-5-7-8/h3-7,11H,1-2H3,(H,12,13)
InChIKeyXZFMXWMPAYHNDR-UHFFFAOYSA-N
XLogP2.19
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.22
LogP ≤ 52.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

2-iodo-N-(2-phenylpropan-2-yl)acetamide
CID 119087378
2-(3-bromophenyl)propan-2-ylcarbamic acid
CID 68549708
2-(4-propan-2-ylphenyl)propan-2-ylcarbamic acid
CID 154135405
1-ethyl-3-(2-phenylpropan-2-yl)urea
CID 110490506
2,3-dimethyl-N-(2-phenylpropan-2-yl)benzamide
CID 47444747
2-(4-fluorophenyl)-N-(2-phenylpropan-2-yl)acetamide
CID 13118330
2-ethyl-N-(2-phenylpropan-2-yl)butanamide
CID 13142331
(2S)-2-hydroxy-3-methyl-N-(2-phenylpropan-2-yl)butanamide
CID 131853955
3-bromo-N-(2-phenylpropan-2-yl)propanamide
CID 13142348
1-methyl-3-(2-phenylpropan-2-yl)thiourea
CID 13065164
2-(2-phenylpropan-2-ylcarbamoylamino)propanoic acid
CID 110490509
N-(2-phenylpropan-2-yl)-4-(trifluoromethyl)benzamide
CID 113091749

Frequently Asked Questions

What is the IUPAC name of 2-phenylpropan-2-ylcarbamic acid?
The IUPAC name of 2-phenylpropan-2-ylcarbamic acid (CID 23445609) is 2-phenylpropan-2-ylcarbamic acid.
What is the SMILES notation for 2-phenylpropan-2-ylcarbamic acid?
The canonical SMILES for 2-phenylpropan-2-ylcarbamic acid is CC(C)(NC(=O)O)c1ccccc1.
What is the InChIKey of 2-phenylpropan-2-ylcarbamic acid?
The InChIKey is XZFMXWMPAYHNDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13NO2/c1-10(2,11-9(12)13)8-6-4-3-5-7-8/h3-7,11H,1-2H3,(H,12,13).
What are the key properties of 2-phenylpropan-2-ylcarbamic acid?
2-phenylpropan-2-ylcarbamic acid has a molecular weight of 179.22 g/mol, XLogP of 2.19, 2 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenylpropan-2-ylcarbamic acid is sourced from PubChem (CID 23445609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).