3-methylbenzamide;2-methylpropane

C12H19NO — CID 160767336

IUPAC3-methylbenzamide;2-methylpropane
SMILESCC(C)C.Cc1cccc(C(N)=O)c1
InChIInChI=1S/C8H9NO.C4H10/c1-6-3-2-4-7(5-6)8(9)10;1-4(2)3/h2-5H,1H3,(H2,9,10);4H,1-3H3
InChIKeyRYVRUBNNZUSWIA-UHFFFAOYSA-N
MW193.29 g/mol
LogP2.76
Rot. Bonds1

About 3-methylbenzamide;2-methylpropane

3-methylbenzamide;2-methylpropane (PubChem CID 160767336) has the molecular formula C12H19NO and a molecular weight of 193.29 g/mol. Its IUPAC name is 3-methylbenzamide;2-methylpropane.

Molecular Properties

Compound Name3-methylbenzamide;2-methylpropane
PubChem CID160767336
Molecular FormulaC12H19NO
Molecular Weight193.29 g/mol
Exact Mass193.15
IUPAC Name3-methylbenzamide;2-methylpropane
SMILESCC(C)C.Cc1cccc(C(N)=O)c1
InChIInChI=1S/C8H9NO.C4H10/c1-6-3-2-4-7(5-6)8(9)10;1-4(2)3/h2-5H,1H3,(H2,9,10);4H,1-3H3
InChIKeyRYVRUBNNZUSWIA-UHFFFAOYSA-N
XLogP2.76
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.29
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 3-methylbenzamide;2-methylpropane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

argon;ethane;3-methylbenzamide;molecular hydrogen
CID 144862945
2-methyl-3-(3-methylphenyl)-3-oxopropanamide
CID 121217094
bis(3-methylphenyl)methanone
CID 17848
3-methyl-1-(3-methylphenyl)butane-1,2-dione
CID 83697695
2-chloro-5-methylpyridine;ethane;3-methylbenzamide
CID 142196503
3-methylbenzoic acid
CID 7418
(3-methylbenzoyl)azanium
CID 153183849
3-[[1-(3-methylphenyl)ethylamino]methyl]benzamide
CID 43778803
4-hydroxy-3-[(3-methylbenzoyl)amino]benzamide
CID 70334005
3-N-[(2R)-3-methylbutan-2-yl]benzene-1,3-dicarboxamide
CID 30827773
3-methylbenzenecarboselenoic Se-acid
CID 166513879
[1,3-bis(3-methylphenyl)-1,3-dioxopropan-2-yl]phosphonic acid
CID 66796244

Frequently Asked Questions

What is the IUPAC name of 3-methylbenzamide;2-methylpropane?
The IUPAC name of 3-methylbenzamide;2-methylpropane (CID 160767336) is 3-methylbenzamide;2-methylpropane.
What is the SMILES notation for 3-methylbenzamide;2-methylpropane?
The canonical SMILES for 3-methylbenzamide;2-methylpropane is CC(C)C.Cc1cccc(C(N)=O)c1.
What is the InChIKey of 3-methylbenzamide;2-methylpropane?
The InChIKey is RYVRUBNNZUSWIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9NO.C4H10/c1-6-3-2-4-7(5-6)8(9)10;1-4(2)3/h2-5H,1H3,(H2,9,10);4H,1-3H3.
What are the key properties of 3-methylbenzamide;2-methylpropane?
3-methylbenzamide;2-methylpropane has a molecular weight of 193.29 g/mol, XLogP of 2.76, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methylbenzamide;2-methylpropane is sourced from PubChem (CID 160767336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).