2-methyl-N-[3-(propan-2-ylcarbamoyl)phenyl]benzamide

C18H20N2O2 — CID 17197346

IUPAC2-methyl-N-[3-(propan-2-ylcarbamoyl)phenyl]benzamide
SMILESCc1ccccc1C(=O)Nc1cccc(C(=O)NC(C)C)c1
InChIInChI=1S/C18H20N2O2/c1-12(2)19-17(21)14-8-6-9-15(11-14)20-18(22)16-10-5-4-7-13(16)3/h4-12H,1-3H3,(H,19,21)(H,20,22)
InChIKeyUFQACJVSVIMITF-UHFFFAOYSA-N
MW296.37 g/mol
LogP3.39
Rot. Bonds4

About 2-methyl-N-[3-(propan-2-ylcarbamoyl)phenyl]benzamide

2-methyl-N-[3-(propan-2-ylcarbamoyl)phenyl]benzamide (PubChem CID 17197346) has the molecular formula C18H20N2O2 and a molecular weight of 296.37 g/mol. Its IUPAC name is 2-methyl-N-[3-(propan-2-ylcarbamoyl)phenyl]benzamide.

Molecular Properties

Compound Name2-methyl-N-[3-(propan-2-ylcarbamoyl)phenyl]benzamide
PubChem CID17197346
Molecular FormulaC18H20N2O2
Molecular Weight296.37 g/mol
Exact Mass296.15
IUPAC Name2-methyl-N-[3-(propan-2-ylcarbamoyl)phenyl]benzamide
SMILESCc1ccccc1C(=O)Nc1cccc(C(=O)NC(C)C)c1
InChIInChI=1S/C18H20N2O2/c1-12(2)19-17(21)14-8-6-9-15(11-14)20-18(22)16-10-5-4-7-13(16)3/h4-12H,1-3H3,(H,19,21)(H,20,22)
InChIKeyUFQACJVSVIMITF-UHFFFAOYSA-N
XLogP3.39
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.37
LogP ≤ 53.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[3-[[(2R)-butan-2-yl]carbamoyl]phenyl]-2-methylbenzamide
CID 42427396
N-[3-(propan-2-ylcarbamoyl)phenyl]-2-propan-2-yloxybenzamide
CID 17197512
3-methyl-N-[3-(propan-2-ylcarbamoyl)phenyl]benzamide
CID 17197365
N-[3-(2,3-dimethylbenzoyl)phenyl]-2-methylbenzamide
CID 846043
N-[3-(1-aminoethyl)phenyl]-2-methylbenzamide
CID 16788845
3-[(4-phenylbenzoyl)amino]-N-propan-2-ylbenzamide
CID 17197336
N-[3-(propan-2-ylcarbamoyl)phenyl]pyridine-4-carboxamide
CID 17197451
ethane;2-methyl-N-propan-2-ylbenzamide
CID 164554205
2-methyl-N-[[3-(1-phenylethylcarbamoyl)phenyl]carbamothioyl]benzamide
CID 43877997
3-(2,2-dimethylpropanoylamino)-N-propan-2-ylbenzamide
CID 17197425
3-[[(2R)-2-aminopropanoyl]amino]-N-propan-2-ylbenzamide
CID 54995638
N-propan-2-yl-3-[(2-propan-2-yloxyacetyl)amino]benzamide
CID 47412911

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[3-(propan-2-ylcarbamoyl)phenyl]benzamide?
The IUPAC name of 2-methyl-N-[3-(propan-2-ylcarbamoyl)phenyl]benzamide (CID 17197346) is 2-methyl-N-[3-(propan-2-ylcarbamoyl)phenyl]benzamide.
What is the SMILES notation for 2-methyl-N-[3-(propan-2-ylcarbamoyl)phenyl]benzamide?
The canonical SMILES for 2-methyl-N-[3-(propan-2-ylcarbamoyl)phenyl]benzamide is Cc1ccccc1C(=O)Nc1cccc(C(=O)NC(C)C)c1.
What is the InChIKey of 2-methyl-N-[3-(propan-2-ylcarbamoyl)phenyl]benzamide?
The InChIKey is UFQACJVSVIMITF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O2/c1-12(2)19-17(21)14-8-6-9-15(11-14)20-18(22)16-10-5-4-7-13(16)3/h4-12H,1-3H3,(H,19,21)(H,20,22).
What are the key properties of 2-methyl-N-[3-(propan-2-ylcarbamoyl)phenyl]benzamide?
2-methyl-N-[3-(propan-2-ylcarbamoyl)phenyl]benzamide has a molecular weight of 296.37 g/mol, XLogP of 3.39, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[3-(propan-2-ylcarbamoyl)phenyl]benzamide is sourced from PubChem (CID 17197346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).