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

C18H20N2O2 — CID 17197365

IUPAC3-methyl-N-[3-(propan-2-ylcarbamoyl)phenyl]benzamide
SMILESCc1cccc(C(=O)Nc2cccc(C(=O)NC(C)C)c2)c1
InChIInChI=1S/C18H20N2O2/c1-12(2)19-17(21)15-8-5-9-16(11-15)20-18(22)14-7-4-6-13(3)10-14/h4-12H,1-3H3,(H,19,21)(H,20,22)
InChIKeyOBXQJKLXJNGZKZ-UHFFFAOYSA-N
MW296.37 g/mol
LogP3.39
Rot. Bonds4

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

3-methyl-N-[3-(propan-2-ylcarbamoyl)phenyl]benzamide (PubChem CID 17197365) has the molecular formula C18H20N2O2 and a molecular weight of 296.37 g/mol. Its IUPAC name is 3-methyl-N-[3-(propan-2-ylcarbamoyl)phenyl]benzamide.

Molecular Properties

Compound Name3-methyl-N-[3-(propan-2-ylcarbamoyl)phenyl]benzamide
PubChem CID17197365
Molecular FormulaC18H20N2O2
Molecular Weight296.37 g/mol
Exact Mass296.15
IUPAC Name3-methyl-N-[3-(propan-2-ylcarbamoyl)phenyl]benzamide
SMILESCc1cccc(C(=O)Nc2cccc(C(=O)NC(C)C)c2)c1
InChIInChI=1S/C18H20N2O2/c1-12(2)19-17(21)15-8-5-9-16(11-15)20-18(22)14-7-4-6-13(3)10-14/h4-12H,1-3H3,(H,19,21)(H,20,22)
InChIKeyOBXQJKLXJNGZKZ-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

3-methyl-N-[4-[[2-[3-(propan-2-ylcarbamoyl)anilino]acetyl]amino]phenyl]benzamide
CID 54833495
N-[3-(propan-2-ylcarbamoyl)phenyl]pyridine-4-carboxamide
CID 17197451
2-methyl-N-[3-(propan-2-ylcarbamoyl)phenyl]benzamide
CID 17197346
3-[(4-phenylbenzoyl)amino]-N-propan-2-ylbenzamide
CID 17197336
N-(3-acetamidophenyl)-3-methylbenzamide
CID 766081
3-[(3-ethoxybenzoyl)amino]-N-propan-2-ylbenzamide
CID 17197485
3-methyl-N-[4-[[2-oxo-2-(propan-2-ylamino)ethyl]amino]phenyl]benzamide
CID 54840407
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
3-methyl-N-[3-(2-methylpropoxy)phenyl]benzamide
CID 17079530
3,5-dimethyl-N-[3-(propan-2-ylcarbamoylamino)phenyl]benzamide
CID 31873928

Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-[3-(propan-2-ylcarbamoyl)phenyl]benzamide?
The IUPAC name of 3-methyl-N-[3-(propan-2-ylcarbamoyl)phenyl]benzamide (CID 17197365) is 3-methyl-N-[3-(propan-2-ylcarbamoyl)phenyl]benzamide.
What is the SMILES notation for 3-methyl-N-[3-(propan-2-ylcarbamoyl)phenyl]benzamide?
The canonical SMILES for 3-methyl-N-[3-(propan-2-ylcarbamoyl)phenyl]benzamide is Cc1cccc(C(=O)Nc2cccc(C(=O)NC(C)C)c2)c1.
What is the InChIKey of 3-methyl-N-[3-(propan-2-ylcarbamoyl)phenyl]benzamide?
The InChIKey is OBXQJKLXJNGZKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O2/c1-12(2)19-17(21)15-8-5-9-16(11-15)20-18(22)14-7-4-6-13(3)10-14/h4-12H,1-3H3,(H,19,21)(H,20,22).
What are the key properties of 3-methyl-N-[3-(propan-2-ylcarbamoyl)phenyl]benzamide?
3-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 3-methyl-N-[3-(propan-2-ylcarbamoyl)phenyl]benzamide is sourced from PubChem (CID 17197365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).