ethane;4-methoxy-3-methyl-N-(4-methylphenyl)benzamide

C18H23NO2 — CID 54213440

IUPACethane;4-methoxy-3-methyl-N-(4-methylphenyl)benzamide
SMILESCC.COc1ccc(C(=O)Nc2ccc(C)cc2)cc1C
InChIInChI=1S/C16H17NO2.C2H6/c1-11-4-7-14(8-5-11)17-16(18)13-6-9-15(19-3)12(2)10-13;1-2/h4-10H,1-3H3,(H,17,18);1-2H3
InChIKeyPXNGPMSSSBPLHH-UHFFFAOYSA-N
MW285.39 g/mol
LogP4.59
Rot. Bonds3

About ethane;4-methoxy-3-methyl-N-(4-methylphenyl)benzamide

ethane;4-methoxy-3-methyl-N-(4-methylphenyl)benzamide (PubChem CID 54213440) has the molecular formula C18H23NO2 and a molecular weight of 285.39 g/mol. Its IUPAC name is ethane;4-methoxy-3-methyl-N-(4-methylphenyl)benzamide.

Molecular Properties

Compound Nameethane;4-methoxy-3-methyl-N-(4-methylphenyl)benzamide
PubChem CID54213440
Molecular FormulaC18H23NO2
Molecular Weight285.39 g/mol
Exact Mass285.17
IUPAC Nameethane;4-methoxy-3-methyl-N-(4-methylphenyl)benzamide
SMILESCC.COc1ccc(C(=O)Nc2ccc(C)cc2)cc1C
InChIInChI=1S/C16H17NO2.C2H6/c1-11-4-7-14(8-5-11)17-16(18)13-6-9-15(19-3)12(2)10-13;1-2/h4-10H,1-3H3,(H,17,18);1-2H3
InChIKeyPXNGPMSSSBPLHH-UHFFFAOYSA-N
XLogP4.59
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.39
LogP ≤ 54.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-methoxy-4-methyl-N-(4-methylphenyl)benzamide
CID 9071746
3,4-dimethyl-N-(4-methylphenyl)benzamide
CID 3950718
3-chloro-4-methoxy-N-(4-methylphenyl)benzamide
CID 2976183
3,4-dimethoxy-N-(4-methoxy-3-methylphenyl)benzamide
CID 110776412
3-methoxy-N-(4-methylphenyl)-4-propan-2-yloxybenzamide
CID 6457881
4-methoxy-3-methyl-N-[4-(pyrrolidine-1-carbonyl)phenyl]benzamide
CID 155705964
3,5-dimethoxy-4-methyl-N-(4-methylphenyl)benzamide
CID 2092676
4-methoxy-3-methyl-N-[4-(thiadiazol-5-yl)phenyl]benzamide
CID 112532790
3-methoxy-N-(4-methylphenyl)-4-prop-2-enoxybenzamide
CID 27284512
N-[4-[[2-(2,4-dimethylphenoxy)acetyl]amino]phenyl]-3,4-dimethoxybenzamide
CID 108935771
N-(4-methoxy-3-methylphenyl)-4-sulfanylbenzamide
CID 107025570
N-[4-(diethylsulfamoyl)phenyl]-4-methoxy-3-methylbenzamide
CID 100701493

Frequently Asked Questions

What is the IUPAC name of ethane;4-methoxy-3-methyl-N-(4-methylphenyl)benzamide?
The IUPAC name of ethane;4-methoxy-3-methyl-N-(4-methylphenyl)benzamide (CID 54213440) is ethane;4-methoxy-3-methyl-N-(4-methylphenyl)benzamide.
What is the SMILES notation for ethane;4-methoxy-3-methyl-N-(4-methylphenyl)benzamide?
The canonical SMILES for ethane;4-methoxy-3-methyl-N-(4-methylphenyl)benzamide is CC.COc1ccc(C(=O)Nc2ccc(C)cc2)cc1C.
What is the InChIKey of ethane;4-methoxy-3-methyl-N-(4-methylphenyl)benzamide?
The InChIKey is PXNGPMSSSBPLHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17NO2.C2H6/c1-11-4-7-14(8-5-11)17-16(18)13-6-9-15(19-3)12(2)10-13;1-2/h4-10H,1-3H3,(H,17,18);1-2H3.
What are the key properties of ethane;4-methoxy-3-methyl-N-(4-methylphenyl)benzamide?
ethane;4-methoxy-3-methyl-N-(4-methylphenyl)benzamide has a molecular weight of 285.39 g/mol, XLogP of 4.59, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;4-methoxy-3-methyl-N-(4-methylphenyl)benzamide is sourced from PubChem (CID 54213440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).