3-ethyl-5-[[3-ethyl-5-(methylcarbamoyl)phenyl]methyl]-N-methylbenzamide

C21H26N2O2 — CID 159329944

IUPAC3-ethyl-5-[[3-ethyl-5-(methylcarbamoyl)phenyl]methyl]-N-methylbenzamide
SMILESCCc1cc(Cc2cc(CC)cc(C(=O)NC)c2)cc(C(=O)NC)c1
InChIInChI=1S/C21H26N2O2/c1-5-14-7-16(12-18(10-14)20(24)22-3)9-17-8-15(6-2)11-19(13-17)21(25)23-4/h7-8,10-13H,5-6,9H2,1-4H3,(H,22,24)(H,23,25)
InChIKeyLEVRXRMKSIFXBP-UHFFFAOYSA-N
MW338.45 g/mol
LogP3.12
Rot. Bonds6

About 3-ethyl-5-[[3-ethyl-5-(methylcarbamoyl)phenyl]methyl]-N-methylbenzamide

3-ethyl-5-[[3-ethyl-5-(methylcarbamoyl)phenyl]methyl]-N-methylbenzamide (PubChem CID 159329944) has the molecular formula C21H26N2O2 and a molecular weight of 338.45 g/mol. Its IUPAC name is 3-ethyl-5-[[3-ethyl-5-(methylcarbamoyl)phenyl]methyl]-N-methylbenzamide.

Molecular Properties

Compound Name3-ethyl-5-[[3-ethyl-5-(methylcarbamoyl)phenyl]methyl]-N-methylbenzamide
PubChem CID159329944
Molecular FormulaC21H26N2O2
Molecular Weight338.45 g/mol
Exact Mass338.20
IUPAC Name3-ethyl-5-[[3-ethyl-5-(methylcarbamoyl)phenyl]methyl]-N-methylbenzamide
SMILESCCc1cc(Cc2cc(CC)cc(C(=O)NC)c2)cc(C(=O)NC)c1
InChIInChI=1S/C21H26N2O2/c1-5-14-7-16(12-18(10-14)20(24)22-3)9-17-8-15(6-2)11-19(13-17)21(25)23-4/h7-8,10-13H,5-6,9H2,1-4H3,(H,22,24)(H,23,25)
InChIKeyLEVRXRMKSIFXBP-UHFFFAOYSA-N
XLogP3.12
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.45
LogP ≤ 53.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-ethyl-N-methylbenzamide
CID 59115297
1-N,3-N,5-N-trimethylbenzene-1,3,5-tricarboxamide
CID 22943140
3-N-[(3-ethylphenyl)methyl]-1-N,5-dimethylbenzene-1,3-dicarboxamide
CID 91172760
1-[(3,5-diethylphenyl)methyl]-3-ethyl-5-[(3-ethyl-5-methylphenyl)methyl]benzene
CID 159034335
3,5-diacetyl-N-methylbenzamide;ethane
CID 142854666
N,3,5-trimethylbenzamide;hydrochloride
CID 139561221
3-acetamido-N-methyl-5-(methylaminomethyl)benzamide
CID 59821039
CID 167532226
CID 167532226
4-(ethylamino)-3,5-difluoro-N-methylbenzamide
CID 63187176
methane;3,4,5-trifluoro-N-methylbenzamide
CID 162072247
3-(aminomethyl)-N-methylbenzamide;ethane
CID 143416429
ethyl 4-(methylcarbamoyl)benzoate
CID 125143185

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-5-[[3-ethyl-5-(methylcarbamoyl)phenyl]methyl]-N-methylbenzamide?
The IUPAC name of 3-ethyl-5-[[3-ethyl-5-(methylcarbamoyl)phenyl]methyl]-N-methylbenzamide (CID 159329944) is 3-ethyl-5-[[3-ethyl-5-(methylcarbamoyl)phenyl]methyl]-N-methylbenzamide.
What is the SMILES notation for 3-ethyl-5-[[3-ethyl-5-(methylcarbamoyl)phenyl]methyl]-N-methylbenzamide?
The canonical SMILES for 3-ethyl-5-[[3-ethyl-5-(methylcarbamoyl)phenyl]methyl]-N-methylbenzamide is CCc1cc(Cc2cc(CC)cc(C(=O)NC)c2)cc(C(=O)NC)c1.
What is the InChIKey of 3-ethyl-5-[[3-ethyl-5-(methylcarbamoyl)phenyl]methyl]-N-methylbenzamide?
The InChIKey is LEVRXRMKSIFXBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N2O2/c1-5-14-7-16(12-18(10-14)20(24)22-3)9-17-8-15(6-2)11-19(13-17)21(25)23-4/h7-8,10-13H,5-6,9H2,1-4H3,(H,22,24)(H,23,25).
What are the key properties of 3-ethyl-5-[[3-ethyl-5-(methylcarbamoyl)phenyl]methyl]-N-methylbenzamide?
3-ethyl-5-[[3-ethyl-5-(methylcarbamoyl)phenyl]methyl]-N-methylbenzamide has a molecular weight of 338.45 g/mol, XLogP of 3.12, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-5-[[3-ethyl-5-(methylcarbamoyl)phenyl]methyl]-N-methylbenzamide is sourced from PubChem (CID 159329944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).