N-methyl-N-(4-methyl-2-bicyclo[4.1.0]hepta-2,4-dienyl)benzamide

C16H17NO — CID 129060249

IUPACN-methyl-N-(4-methyl-2-bicyclo[4.1.0]hepta-2,4-dienyl)benzamide
SMILESCC1=CC2CC2C(N(C)C(=O)c2ccccc2)=C1
InChIInChI=1S/C16H17NO/c1-11-8-13-10-14(13)15(9-11)17(2)16(18)12-6-4-3-5-7-12/h3-9,13-14H,10H2,1-2H3
InChIKeySTYSNDXTGDURPJ-UHFFFAOYSA-N
MW239.32 g/mol
LogP3.24
Rot. Bonds2

About N-methyl-N-(4-methyl-2-bicyclo[4.1.0]hepta-2,4-dienyl)benzamide

N-methyl-N-(4-methyl-2-bicyclo[4.1.0]hepta-2,4-dienyl)benzamide (PubChem CID 129060249) has the molecular formula C16H17NO and a molecular weight of 239.32 g/mol. Its IUPAC name is N-methyl-N-(4-methyl-2-bicyclo[4.1.0]hepta-2,4-dienyl)benzamide.

Molecular Properties

Compound NameN-methyl-N-(4-methyl-2-bicyclo[4.1.0]hepta-2,4-dienyl)benzamide
PubChem CID129060249
Molecular FormulaC16H17NO
Molecular Weight239.32 g/mol
Exact Mass239.13
IUPAC NameN-methyl-N-(4-methyl-2-bicyclo[4.1.0]hepta-2,4-dienyl)benzamide
SMILESCC1=CC2CC2C(N(C)C(=O)c2ccccc2)=C1
InChIInChI=1S/C16H17NO/c1-11-8-13-10-14(13)15(9-11)17(2)16(18)12-6-4-3-5-7-12/h3-9,13-14H,10H2,1-2H3
InChIKeySTYSNDXTGDURPJ-UHFFFAOYSA-N
XLogP3.24
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.32
LogP ≤ 53.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

N-[2-[benzoyl(methyl)amino]cyclohexa-2,4-dien-1-yl]-N-methylbenzamide
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N-[(3R)-3-[benzoyl(methyl)amino]cyclohexyl]-N-methylbenzamide
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N-methyl-N-naphthalen-1-ylbenzamide
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4-amino-N-methyl-N-phenylbenzamide
CID 4306081
N-[4-[benzoyl(chloromethyl)amino]cyclohexyl]-N-(chloromethyl)benzamide
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N-methyl-N-(2-methylquinolin-4-yl)benzamide
CID 142658948
N-methyl-N-(5-methyl-1,3,4-thiadiazol-2-yl)benzamide
CID 12679001
benzoyl(methyl)carbamic acid;hydrochloride
CID 70634624
CID 173432275
CID 173432275
N-methyl-N-(1-methylcyclopropyl)benzamide
CID 66675854
N-methyl-N-(2-methyl-3-nitrophenyl)benzamide
CID 13047995

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-(4-methyl-2-bicyclo[4.1.0]hepta-2,4-dienyl)benzamide?
The IUPAC name of N-methyl-N-(4-methyl-2-bicyclo[4.1.0]hepta-2,4-dienyl)benzamide (CID 129060249) is N-methyl-N-(4-methyl-2-bicyclo[4.1.0]hepta-2,4-dienyl)benzamide.
What is the SMILES notation for N-methyl-N-(4-methyl-2-bicyclo[4.1.0]hepta-2,4-dienyl)benzamide?
The canonical SMILES for N-methyl-N-(4-methyl-2-bicyclo[4.1.0]hepta-2,4-dienyl)benzamide is CC1=CC2CC2C(N(C)C(=O)c2ccccc2)=C1.
What is the InChIKey of N-methyl-N-(4-methyl-2-bicyclo[4.1.0]hepta-2,4-dienyl)benzamide?
The InChIKey is STYSNDXTGDURPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17NO/c1-11-8-13-10-14(13)15(9-11)17(2)16(18)12-6-4-3-5-7-12/h3-9,13-14H,10H2,1-2H3.
What are the key properties of N-methyl-N-(4-methyl-2-bicyclo[4.1.0]hepta-2,4-dienyl)benzamide?
N-methyl-N-(4-methyl-2-bicyclo[4.1.0]hepta-2,4-dienyl)benzamide has a molecular weight of 239.32 g/mol, XLogP of 3.24, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-(4-methyl-2-bicyclo[4.1.0]hepta-2,4-dienyl)benzamide is sourced from PubChem (CID 129060249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).