N-(3-methylphenyl)-3-(2-methylpropyl)benzamide

C18H21NO — CID 158758785

IUPACN-(3-methylphenyl)-3-(2-methylpropyl)benzamide
SMILESCc1cccc(NC(=O)c2cccc(CC(C)C)c2)c1
InChIInChI=1S/C18H21NO/c1-13(2)10-15-7-5-8-16(12-15)18(20)19-17-9-4-6-14(3)11-17/h4-9,11-13H,10H2,1-3H3,(H,19,20)
InChIKeyWPUBIQRTMCYCRL-UHFFFAOYSA-N
MW267.37 g/mol
LogP4.45
Rot. Bonds4

About N-(3-methylphenyl)-3-(2-methylpropyl)benzamide

N-(3-methylphenyl)-3-(2-methylpropyl)benzamide (PubChem CID 158758785) has the molecular formula C18H21NO and a molecular weight of 267.37 g/mol. Its IUPAC name is N-(3-methylphenyl)-3-(2-methylpropyl)benzamide.

Molecular Properties

Compound NameN-(3-methylphenyl)-3-(2-methylpropyl)benzamide
PubChem CID158758785
Molecular FormulaC18H21NO
Molecular Weight267.37 g/mol
Exact Mass267.16
IUPAC NameN-(3-methylphenyl)-3-(2-methylpropyl)benzamide
SMILESCc1cccc(NC(=O)c2cccc(CC(C)C)c2)c1
InChIInChI=1S/C18H21NO/c1-13(2)10-15-7-5-8-16(12-15)18(20)19-17-9-4-6-14(3)11-17/h4-9,11-13H,10H2,1-3H3,(H,19,20)
InChIKeyWPUBIQRTMCYCRL-UHFFFAOYSA-N
XLogP4.45
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.37
LogP ≤ 54.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-(3-methylphenyl)-3-[2-[4-(2-methylpropyl)phenyl]propanoylcarbamothioylamino]benzamide
CID 54782752
3-(dimethylsulfamoyl)-N-[3-(2-methylpropyl)phenyl]benzamide
CID 110425651
1-N-methyl-3-N-(3-methylphenyl)benzene-1,3-dicarboxamide
CID 58018070
3-methyl-N-[3-(propan-2-ylcarbamoyl)phenyl]benzamide
CID 17197365
3-(3-methylbutoxy)-N-(3-methylphenyl)benzamide
CID 4981633
N,3-bis(2-methylpropyl)benzamide
CID 176945198
3-chloro-N-(3-methylphenyl)benzamide
CID 722373
3-[(3-methylphenyl)carbamoyl]benzoyl chloride
CID 101097986
3-methyl-N-[3-(2-methylpropoxy)phenyl]benzamide
CID 17079530
3-butan-2-yloxy-N-(3-methylphenyl)benzamide
CID 17149681
N-(3-acetamidophenyl)-3-methylbenzamide
CID 766081
3-N-(3-methylphenyl)-1-N-(4-propan-2-yloxyphenyl)benzene-1,3-dicarboxamide
CID 109056925

Frequently Asked Questions

What is the IUPAC name of N-(3-methylphenyl)-3-(2-methylpropyl)benzamide?
The IUPAC name of N-(3-methylphenyl)-3-(2-methylpropyl)benzamide (CID 158758785) is N-(3-methylphenyl)-3-(2-methylpropyl)benzamide.
What is the SMILES notation for N-(3-methylphenyl)-3-(2-methylpropyl)benzamide?
The canonical SMILES for N-(3-methylphenyl)-3-(2-methylpropyl)benzamide is Cc1cccc(NC(=O)c2cccc(CC(C)C)c2)c1.
What is the InChIKey of N-(3-methylphenyl)-3-(2-methylpropyl)benzamide?
The InChIKey is WPUBIQRTMCYCRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21NO/c1-13(2)10-15-7-5-8-16(12-15)18(20)19-17-9-4-6-14(3)11-17/h4-9,11-13H,10H2,1-3H3,(H,19,20).
What are the key properties of N-(3-methylphenyl)-3-(2-methylpropyl)benzamide?
N-(3-methylphenyl)-3-(2-methylpropyl)benzamide has a molecular weight of 267.37 g/mol, XLogP of 4.45, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methylphenyl)-3-(2-methylpropyl)benzamide is sourced from PubChem (CID 158758785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).