propan-2-yl N-(3-propan-2-ylphenyl)carbamate

C13H19NO2 — CID 15649383

IUPACpropan-2-yl N-(3-propan-2-ylphenyl)carbamate
SMILESCC(C)OC(=O)Nc1cccc(C(C)C)c1
InChIInChI=1S/C13H19NO2/c1-9(2)11-6-5-7-12(8-11)14-13(15)16-10(3)4/h5-10H,1-4H3,(H,14,15)
InChIKeyGJKRNLWJGFPIFZ-UHFFFAOYSA-N
MW221.30 g/mol
LogP3.77
Rot. Bonds3

About propan-2-yl N-(3-propan-2-ylphenyl)carbamate

propan-2-yl N-(3-propan-2-ylphenyl)carbamate (PubChem CID 15649383) has the molecular formula C13H19NO2 and a molecular weight of 221.30 g/mol. Its IUPAC name is propan-2-yl N-(3-propan-2-ylphenyl)carbamate.

Molecular Properties

Compound Namepropan-2-yl N-(3-propan-2-ylphenyl)carbamate
PubChem CID15649383
Molecular FormulaC13H19NO2
Molecular Weight221.30 g/mol
Exact Mass221.14
IUPAC Namepropan-2-yl N-(3-propan-2-ylphenyl)carbamate
SMILESCC(C)OC(=O)Nc1cccc(C(C)C)c1
InChIInChI=1S/C13H19NO2/c1-9(2)11-6-5-7-12(8-11)14-13(15)16-10(3)4/h5-10H,1-4H3,(H,14,15)
InChIKeyGJKRNLWJGFPIFZ-UHFFFAOYSA-N
XLogP3.77
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.30
LogP ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-propan-2-yl-3-(3-propan-2-ylphenyl)urea
CID 47173712
3,5-dimethoxy-N-(3-propan-2-ylphenyl)benzamide
CID 24636290
3-methyl-N-(3-propan-2-ylphenyl)butanamide
CID 21491914
3-oxo-3-(3-propan-2-ylanilino)propanoic acid
CID 62230571
bis[1-[3-(prop-2-enoxycarbonylamino)phenyl]ethyl] carbonate
CID 139741048
dimethyl (E)-2-(3-propan-2-ylanilino)but-2-enedioate
CID 168566808
(2R)-2-amino-3-methyl-N-(3-propan-2-ylphenyl)butanamide
CID 28973657
(E)-2-methyl-N-(3-propan-2-ylphenyl)but-2-enamide
CID 142547817
4-oxo-4-(3-propan-2-ylanilino)butanoic acid
CID 43396404
2,2-dimethyl-3-oxo-3-(3-propan-2-ylanilino)propanoic acid
CID 82821169
3,5-dichloro-4-methoxy-N-(3-propan-2-ylphenyl)benzamide
CID 18276879
1-(1-cyclopropylethyl)-3-(3-propan-2-ylphenyl)urea
CID 47133190

Frequently Asked Questions

What is the IUPAC name of propan-2-yl N-(3-propan-2-ylphenyl)carbamate?
The IUPAC name of propan-2-yl N-(3-propan-2-ylphenyl)carbamate (CID 15649383) is propan-2-yl N-(3-propan-2-ylphenyl)carbamate.
What is the SMILES notation for propan-2-yl N-(3-propan-2-ylphenyl)carbamate?
The canonical SMILES for propan-2-yl N-(3-propan-2-ylphenyl)carbamate is CC(C)OC(=O)Nc1cccc(C(C)C)c1.
What is the InChIKey of propan-2-yl N-(3-propan-2-ylphenyl)carbamate?
The InChIKey is GJKRNLWJGFPIFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO2/c1-9(2)11-6-5-7-12(8-11)14-13(15)16-10(3)4/h5-10H,1-4H3,(H,14,15).
What are the key properties of propan-2-yl N-(3-propan-2-ylphenyl)carbamate?
propan-2-yl N-(3-propan-2-ylphenyl)carbamate has a molecular weight of 221.30 g/mol, XLogP of 3.77, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-yl N-(3-propan-2-ylphenyl)carbamate is sourced from PubChem (CID 15649383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).