ethane;4-ethyl-N-(4-methylphenyl)benzamide

C20H29NO — CID 143234775

IUPACethane;4-ethyl-N-(4-methylphenyl)benzamide
SMILESCC.CC.CCc1ccc(C(=O)Nc2ccc(C)cc2)cc1
InChIInChI=1S/C16H17NO.2C2H6/c1-3-13-6-8-14(9-7-13)16(18)17-15-10-4-12(2)5-11-15;2*1-2/h4-11H,3H2,1-2H3,(H,17,18);2*1-2H3
InChIKeyGMRRLMJTMPJBKQ-UHFFFAOYSA-N
MW299.46 g/mol
LogP5.86
Rot. Bonds3

About ethane;4-ethyl-N-(4-methylphenyl)benzamide

ethane;4-ethyl-N-(4-methylphenyl)benzamide (PubChem CID 143234775) has the molecular formula C20H29NO and a molecular weight of 299.46 g/mol. Its IUPAC name is ethane;4-ethyl-N-(4-methylphenyl)benzamide.

Molecular Properties

Compound Nameethane;4-ethyl-N-(4-methylphenyl)benzamide
PubChem CID143234775
Molecular FormulaC20H29NO
Molecular Weight299.46 g/mol
Exact Mass299.22
IUPAC Nameethane;4-ethyl-N-(4-methylphenyl)benzamide
SMILESCC.CC.CCc1ccc(C(=O)Nc2ccc(C)cc2)cc1
InChIInChI=1S/C16H17NO.2C2H6/c1-3-13-6-8-14(9-7-13)16(18)17-15-10-4-12(2)5-11-15;2*1-2/h4-11H,3H2,1-2H3,(H,17,18);2*1-2H3
InChIKeyGMRRLMJTMPJBKQ-UHFFFAOYSA-N
XLogP5.86
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500299.46
LogP ≤ 55.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

4-N-(4-ethylphenyl)-1-N-[(4-methylphenyl)methyl]benzene-1,4-dicarboxamide
CID 109046969
N-[4-(bromomethyl)phenyl]-4-methylbenzamide
CID 113274673
4-methyl-N-[4-[[4-[(4-methylbenzoyl)amino]phenyl]methyl]phenyl]benzamide
CID 2330632
5-N-(4-ethylphenyl)-3-N-(4-methylphenyl)pyridine-3,5-dicarboxamide
CID 109107992
N-(4-ethylphenyl)benzamide
CID 774063
4-methyl-N-[4-(methylaminomethyl)phenyl]benzamide
CID 106909933
N-[4-[(dimethylamino)methyl]phenyl]-4-methylbenzamide
CID 37243297
N-[4-(2-aminoethyl)phenyl]-4-methylbenzamide
CID 28754500
N-(4-methylphenyl)-4-[2-[4-[(4-methylphenyl)carbamoyl]phenyl]hydrazinyl]benzamide
CID 139337158
N-[4-[(4-acetamidophenyl)carbamoyl]phenyl]-4-methylbenzamide
CID 2223178
4-ethyl-N-pyridin-4-ylbenzamide
CID 2712552
N-(4-ethylphenyl)-4-pentylbenzamide
CID 142206594

Frequently Asked Questions

What is the IUPAC name of ethane;4-ethyl-N-(4-methylphenyl)benzamide?
The IUPAC name of ethane;4-ethyl-N-(4-methylphenyl)benzamide (CID 143234775) is ethane;4-ethyl-N-(4-methylphenyl)benzamide.
What is the SMILES notation for ethane;4-ethyl-N-(4-methylphenyl)benzamide?
The canonical SMILES for ethane;4-ethyl-N-(4-methylphenyl)benzamide is CC.CC.CCc1ccc(C(=O)Nc2ccc(C)cc2)cc1.
What is the InChIKey of ethane;4-ethyl-N-(4-methylphenyl)benzamide?
The InChIKey is GMRRLMJTMPJBKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17NO.2C2H6/c1-3-13-6-8-14(9-7-13)16(18)17-15-10-4-12(2)5-11-15;2*1-2/h4-11H,3H2,1-2H3,(H,17,18);2*1-2H3.
What are the key properties of ethane;4-ethyl-N-(4-methylphenyl)benzamide?
ethane;4-ethyl-N-(4-methylphenyl)benzamide has a molecular weight of 299.46 g/mol, XLogP of 5.86, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;4-ethyl-N-(4-methylphenyl)benzamide is sourced from PubChem (CID 143234775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).