2-phenylpropan-2-yl carbamate;propane

C13H21NO2 — CID 175117543

IUPAC2-phenylpropan-2-yl carbamate;propane
SMILESCC(C)(OC(N)=O)c1ccccc1.CCC
InChIInChI=1S/C10H13NO2.C3H8/c1-10(2,13-9(11)12)8-6-4-3-5-7-8;1-3-2/h3-7H,1-2H3,(H2,11,12);3H2,1-2H3
InChIKeyGQTYQDXUEIFNIQ-UHFFFAOYSA-N
MW223.32 g/mol
LogP3.43
Rot. Bonds2

About 2-phenylpropan-2-yl carbamate;propane

2-phenylpropan-2-yl carbamate;propane (PubChem CID 175117543) has the molecular formula C13H21NO2 and a molecular weight of 223.32 g/mol. Its IUPAC name is 2-phenylpropan-2-yl carbamate;propane.

Molecular Properties

Compound Name2-phenylpropan-2-yl carbamate;propane
PubChem CID175117543
Molecular FormulaC13H21NO2
Molecular Weight223.32 g/mol
Exact Mass223.16
IUPAC Name2-phenylpropan-2-yl carbamate;propane
SMILESCC(C)(OC(N)=O)c1ccccc1.CCC
InChIInChI=1S/C10H13NO2.C3H8/c1-10(2,13-9(11)12)8-6-4-3-5-7-8;1-3-2/h3-7H,1-2H3,(H2,11,12);3H2,1-2H3
InChIKeyGQTYQDXUEIFNIQ-UHFFFAOYSA-N
XLogP3.43
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.32
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-phenylpropan-2-yl carbamate;triazine
CID 175317110
1,1-diphenylethyl carbamate
CID 20976713
2-phenylpropan-2-yl 2,2-dimethylbutanoate
CID 18730969
2-phenylpropan-2-yl 2-aminoacetate;2-phenylpropan-2-yl propanoate
CID 160872779
[carbamoyloxy(diphenyl)methyl] N-ethylcarbamate
CID 164942360
2-phenylpropan-2-yl 3-oxobutanoate
CID 13319262
2-[4-(2-aminoanilino)phenyl]propan-2-yl carbamate
CID 70032547
[dichloro(phenyl)methyl] carbamate
CID 66779545
2-phenylpropan-2-yl 3-[3-oxo-3-(2-phenylpropan-2-yloxy)propyl]sulfanylpropanoate
CID 70006698
tert-butyl carbamate;propylbenzene
CID 146635957
(2-methyl-2-phenylpropyl) hydrogen carbonate
CID 150979314
tert-butyl carbamate;1-phenylpropan-1-ol
CID 21221796

Frequently Asked Questions

What is the IUPAC name of 2-phenylpropan-2-yl carbamate;propane?
The IUPAC name of 2-phenylpropan-2-yl carbamate;propane (CID 175117543) is 2-phenylpropan-2-yl carbamate;propane.
What is the SMILES notation for 2-phenylpropan-2-yl carbamate;propane?
The canonical SMILES for 2-phenylpropan-2-yl carbamate;propane is CC(C)(OC(N)=O)c1ccccc1.CCC.
What is the InChIKey of 2-phenylpropan-2-yl carbamate;propane?
The InChIKey is GQTYQDXUEIFNIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13NO2.C3H8/c1-10(2,13-9(11)12)8-6-4-3-5-7-8;1-3-2/h3-7H,1-2H3,(H2,11,12);3H2,1-2H3.
What are the key properties of 2-phenylpropan-2-yl carbamate;propane?
2-phenylpropan-2-yl carbamate;propane has a molecular weight of 223.32 g/mol, XLogP of 3.43, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenylpropan-2-yl carbamate;propane is sourced from PubChem (CID 175117543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).