2,3-dimethyl-4-propan-2-ylbenzamide

C12H17NO — CID 154461721

IUPAC2,3-dimethyl-4-propan-2-ylbenzamide
SMILESCc1c(C(N)=O)ccc(C(C)C)c1C
InChIInChI=1S/C12H17NO/c1-7(2)10-5-6-11(12(13)14)9(4)8(10)3/h5-7H,1-4H3,(H2,13,14)
InChIKeyBJQNKIAGWOBMAY-UHFFFAOYSA-N
MW191.27 g/mol
LogP2.53
Rot. Bonds2

About 2,3-dimethyl-4-propan-2-ylbenzamide

2,3-dimethyl-4-propan-2-ylbenzamide (PubChem CID 154461721) has the molecular formula C12H17NO and a molecular weight of 191.27 g/mol. Its IUPAC name is 2,3-dimethyl-4-propan-2-ylbenzamide.

Molecular Properties

Compound Name2,3-dimethyl-4-propan-2-ylbenzamide
PubChem CID154461721
Molecular FormulaC12H17NO
Molecular Weight191.27 g/mol
Exact Mass191.13
IUPAC Name2,3-dimethyl-4-propan-2-ylbenzamide
SMILESCc1c(C(N)=O)ccc(C(C)C)c1C
InChIInChI=1S/C12H17NO/c1-7(2)10-5-6-11(12(13)14)9(4)8(10)3/h5-7H,1-4H3,(H2,13,14)
InChIKeyBJQNKIAGWOBMAY-UHFFFAOYSA-N
XLogP2.53
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.27
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2,3,4-trimethylbenzamide;hydrochloride
CID 67157686
3-amino-4-(1-methoxyethyl)-2-methylbenzamide
CID 89052864
3-fluoro-2,4-dimethylbenzamide
CID 119006165
2,4-dimethylbenzene-1,3-dicarboxamide
CID 19767105
carbamoylurea;2-methyl-1,3-di(propan-2-yl)benzene
CID 174706282
2-hydroxy-4-methyl-3-propan-2-ylbenzamide
CID 57373684
2-[[(2R)-butan-2-yl]amino]-3-methylbenzene-1,4-dicarboxamide
CID 140538451
5-fluoro-2-methyl-4-propan-2-ylbenzamide
CID 58333607
1-ethyl-2,3-dimethyl-4-propan-2-ylbenzene
CID 145053588
2-methyl-3-(propan-2-ylamino)benzamide
CID 43694179
1-(hydroperoxymethyl)-2,3-dimethyl-4-propan-2-ylbenzene
CID 88802357
2,3-dimethylbenzamide;ethane
CID 143389789

Frequently Asked Questions

What is the IUPAC name of 2,3-dimethyl-4-propan-2-ylbenzamide?
The IUPAC name of 2,3-dimethyl-4-propan-2-ylbenzamide (CID 154461721) is 2,3-dimethyl-4-propan-2-ylbenzamide.
What is the SMILES notation for 2,3-dimethyl-4-propan-2-ylbenzamide?
The canonical SMILES for 2,3-dimethyl-4-propan-2-ylbenzamide is Cc1c(C(N)=O)ccc(C(C)C)c1C.
What is the InChIKey of 2,3-dimethyl-4-propan-2-ylbenzamide?
The InChIKey is BJQNKIAGWOBMAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO/c1-7(2)10-5-6-11(12(13)14)9(4)8(10)3/h5-7H,1-4H3,(H2,13,14).
What are the key properties of 2,3-dimethyl-4-propan-2-ylbenzamide?
2,3-dimethyl-4-propan-2-ylbenzamide has a molecular weight of 191.27 g/mol, XLogP of 2.53, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dimethyl-4-propan-2-ylbenzamide is sourced from PubChem (CID 154461721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).