1,2-di(propan-2-yl)benzene;3-propan-2-ylbenzamide

C22H31NO — CID 170970604

IUPAC1,2-di(propan-2-yl)benzene;3-propan-2-ylbenzamide
SMILESCC(C)c1cccc(C(N)=O)c1.CC(C)c1ccccc1C(C)C
InChIInChI=1S/C12H18.C10H13NO/c1-9(2)11-7-5-6-8-12(11)10(3)4;1-7(2)8-4-3-5-9(6-8)10(11)12/h5-10H,1-4H3;3-7H,1-2H3,(H2,11,12)
InChIKeyAAFKCWJHIBRWGE-UHFFFAOYSA-N
MW325.50 g/mol
LogP5.84
Rot. Bonds4

About 1,2-di(propan-2-yl)benzene;3-propan-2-ylbenzamide

1,2-di(propan-2-yl)benzene;3-propan-2-ylbenzamide (PubChem CID 170970604) has the molecular formula C22H31NO and a molecular weight of 325.50 g/mol. Its IUPAC name is 1,2-di(propan-2-yl)benzene;3-propan-2-ylbenzamide.

Molecular Properties

Compound Name1,2-di(propan-2-yl)benzene;3-propan-2-ylbenzamide
PubChem CID170970604
Molecular FormulaC22H31NO
Molecular Weight325.50 g/mol
Exact Mass325.24
IUPAC Name1,2-di(propan-2-yl)benzene;3-propan-2-ylbenzamide
SMILESCC(C)c1cccc(C(N)=O)c1.CC(C)c1ccccc1C(C)C
InChIInChI=1S/C12H18.C10H13NO/c1-9(2)11-7-5-6-8-12(11)10(3)4;1-7(2)8-4-3-5-9(6-8)10(11)12/h5-10H,1-4H3;3-7H,1-2H3,(H2,11,12)
InChIKeyAAFKCWJHIBRWGE-UHFFFAOYSA-N
XLogP5.84
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500325.50
LogP ≤ 55.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

3-(dihydroxymethyl)benzamide
CID 174476205
3-[(3-propan-2-ylphenyl)carbamothioylamino]benzamide
CID 53365173
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CID 140561822
1-propan-2-yl-2-prop-1-en-2-ylbenzene;1-propan-2-yl-3-prop-1-en-2-ylbenzene
CID 173398854
(3-propan-2-ylphenyl)-(4-propan-2-ylphenyl)methanone
CID 170780602
2-chloro-1-(3-propan-2-ylphenyl)propan-1-one
CID 131009235
3-[[2,4,6-tri(propan-2-yl)phenyl]sulfonylamino]benzamide
CID 3874725
3-[bromo(methoxy)methyl]benzamide
CID 57281068
3-methylbenzamide;2-methylpropane
CID 160767336
2-phenyl-1-(3-propan-2-ylphenyl)ethanone
CID 146007200
3-[[2-oxo-2-(2-propan-2-ylanilino)ethyl]amino]benzamide
CID 54842293
[2,5-di(propan-2-yl)phenyl]-phenylmethanone
CID 165349442

Frequently Asked Questions

What is the IUPAC name of 1,2-di(propan-2-yl)benzene;3-propan-2-ylbenzamide?
The IUPAC name of 1,2-di(propan-2-yl)benzene;3-propan-2-ylbenzamide (CID 170970604) is 1,2-di(propan-2-yl)benzene;3-propan-2-ylbenzamide.
What is the SMILES notation for 1,2-di(propan-2-yl)benzene;3-propan-2-ylbenzamide?
The canonical SMILES for 1,2-di(propan-2-yl)benzene;3-propan-2-ylbenzamide is CC(C)c1cccc(C(N)=O)c1.CC(C)c1ccccc1C(C)C.
What is the InChIKey of 1,2-di(propan-2-yl)benzene;3-propan-2-ylbenzamide?
The InChIKey is AAFKCWJHIBRWGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18.C10H13NO/c1-9(2)11-7-5-6-8-12(11)10(3)4;1-7(2)8-4-3-5-9(6-8)10(11)12/h5-10H,1-4H3;3-7H,1-2H3,(H2,11,12).
What are the key properties of 1,2-di(propan-2-yl)benzene;3-propan-2-ylbenzamide?
1,2-di(propan-2-yl)benzene;3-propan-2-ylbenzamide has a molecular weight of 325.50 g/mol, XLogP of 5.84, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-di(propan-2-yl)benzene;3-propan-2-ylbenzamide is sourced from PubChem (CID 170970604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).