di(propan-2-yl)carbamic acid;1,3-xylene

C15H25NO2 — CID 175568368

IUPACdi(propan-2-yl)carbamic acid;1,3-xylene
SMILESCC(C)N(C(=O)O)C(C)C.Cc1cccc(C)c1
InChIInChI=1S/C8H10.C7H15NO2/c1-7-4-3-5-8(2)6-7;1-5(2)8(6(3)4)7(9)10/h3-6H,1-2H3;5-6H,1-4H3,(H,9,10)
InChIKeyNGMWEULVHBLHEJ-UHFFFAOYSA-N
MW251.37 g/mol
LogP4.09
Rot. Bonds2

About di(propan-2-yl)carbamic acid;1,3-xylene

di(propan-2-yl)carbamic acid;1,3-xylene (PubChem CID 175568368) has the molecular formula C15H25NO2 and a molecular weight of 251.37 g/mol. Its IUPAC name is di(propan-2-yl)carbamic acid;1,3-xylene.

Molecular Properties

Compound Namedi(propan-2-yl)carbamic acid;1,3-xylene
PubChem CID175568368
Molecular FormulaC15H25NO2
Molecular Weight251.37 g/mol
Exact Mass251.19
IUPAC Namedi(propan-2-yl)carbamic acid;1,3-xylene
SMILESCC(C)N(C(=O)O)C(C)C.Cc1cccc(C)c1
InChIInChI=1S/C8H10.C7H15NO2/c1-7-4-3-5-8(2)6-7;1-5(2)8(6(3)4)7(9)10/h3-6H,1-2H3;5-6H,1-4H3,(H,9,10)
InChIKeyNGMWEULVHBLHEJ-UHFFFAOYSA-N
XLogP4.09
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.37
LogP ≤ 54.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of di(propan-2-yl)carbamic acid;1,3-xylene?
The IUPAC name of di(propan-2-yl)carbamic acid;1,3-xylene (CID 175568368) is di(propan-2-yl)carbamic acid;1,3-xylene.
What is the SMILES notation for di(propan-2-yl)carbamic acid;1,3-xylene?
The canonical SMILES for di(propan-2-yl)carbamic acid;1,3-xylene is CC(C)N(C(=O)O)C(C)C.Cc1cccc(C)c1.
What is the InChIKey of di(propan-2-yl)carbamic acid;1,3-xylene?
The InChIKey is NGMWEULVHBLHEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10.C7H15NO2/c1-7-4-3-5-8(2)6-7;1-5(2)8(6(3)4)7(9)10/h3-6H,1-2H3;5-6H,1-4H3,(H,9,10).
What are the key properties of di(propan-2-yl)carbamic acid;1,3-xylene?
di(propan-2-yl)carbamic acid;1,3-xylene has a molecular weight of 251.37 g/mol, XLogP of 4.09, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for di(propan-2-yl)carbamic acid;1,3-xylene is sourced from PubChem (CID 175568368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).