3-(N-ethylanilino)-N-(2-methyl-6-propan-2-ylphenyl)propanamide

C21H28N2O — CID 109036517

IUPAC3-(N-ethylanilino)-N-(2-methyl-6-propan-2-ylphenyl)propanamide
SMILESCCN(CCC(=O)Nc1c(C)cccc1C(C)C)c1ccccc1
InChIInChI=1S/C21H28N2O/c1-5-23(18-11-7-6-8-12-18)15-14-20(24)22-21-17(4)10-9-13-19(21)16(2)3/h6-13,16H,5,14-15H2,1-4H3,(H,22,24)
InChIKeyAISGCTNOJRQXOX-UHFFFAOYSA-N
MW324.47 g/mol
LogP4.97
Rot. Bonds7

About 3-(N-ethylanilino)-N-(2-methyl-6-propan-2-ylphenyl)propanamide

3-(N-ethylanilino)-N-(2-methyl-6-propan-2-ylphenyl)propanamide (PubChem CID 109036517) has the molecular formula C21H28N2O and a molecular weight of 324.47 g/mol. Its IUPAC name is 3-(N-ethylanilino)-N-(2-methyl-6-propan-2-ylphenyl)propanamide.

Molecular Properties

Compound Name3-(N-ethylanilino)-N-(2-methyl-6-propan-2-ylphenyl)propanamide
PubChem CID109036517
Molecular FormulaC21H28N2O
Molecular Weight324.47 g/mol
Exact Mass324.22
IUPAC Name3-(N-ethylanilino)-N-(2-methyl-6-propan-2-ylphenyl)propanamide
SMILESCCN(CCC(=O)Nc1c(C)cccc1C(C)C)c1ccccc1
InChIInChI=1S/C21H28N2O/c1-5-23(18-11-7-6-8-12-18)15-14-20(24)22-21-17(4)10-9-13-19(21)16(2)3/h6-13,16H,5,14-15H2,1-4H3,(H,22,24)
InChIKeyAISGCTNOJRQXOX-UHFFFAOYSA-N
XLogP4.97
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.47
LogP ≤ 54.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-(2-methyl-6-propan-2-ylanilino)-4-oxobutanoic acid
CID 9154947
3-[acetyl(1-phenylethyl)amino]-N-(2-methyl-6-propan-2-ylphenyl)propanamide
CID 113118994
N'-methyl-N-(2-methyl-6-propan-2-ylphenyl)-N'-phenylpropanediamide
CID 108953169
2-[ethyl(methyl)amino]-N-(2-methyl-6-propan-2-ylphenyl)acetamide
CID 60516691
3-(N-acetyl-2,6-dimethylanilino)-N-(2-methyl-6-propan-2-ylphenyl)propanamide
CID 113124910
N',N'-diethyl-N-(2-methyl-6-propan-2-ylphenyl)propanediamide
CID 108951086
N-(2-methyl-6-propan-2-ylphenyl)decanamide
CID 3411920
N-[2,6-di(propan-2-yl)phenyl]-3-[N-[(4-methoxyphenyl)methyl]anilino]propanamide
CID 139806920
4-hydroxy-N-(2-methyl-6-propan-2-ylphenyl)butanamide
CID 79019177
3-[methyl-[2-(2-methyl-6-propan-2-ylanilino)-2-oxoethyl]amino]propanoic acid;hydrochloride
CID 119911846
3-(N,4-diacetylanilino)-N-(2-methyl-6-propan-2-ylphenyl)propanamide
CID 113130872
N-(2-methyl-6-propan-2-ylphenyl)-3-methylsulfanylpropanamide
CID 112789085

Frequently Asked Questions

What is the IUPAC name of 3-(N-ethylanilino)-N-(2-methyl-6-propan-2-ylphenyl)propanamide?
The IUPAC name of 3-(N-ethylanilino)-N-(2-methyl-6-propan-2-ylphenyl)propanamide (CID 109036517) is 3-(N-ethylanilino)-N-(2-methyl-6-propan-2-ylphenyl)propanamide.
What is the SMILES notation for 3-(N-ethylanilino)-N-(2-methyl-6-propan-2-ylphenyl)propanamide?
The canonical SMILES for 3-(N-ethylanilino)-N-(2-methyl-6-propan-2-ylphenyl)propanamide is CCN(CCC(=O)Nc1c(C)cccc1C(C)C)c1ccccc1.
What is the InChIKey of 3-(N-ethylanilino)-N-(2-methyl-6-propan-2-ylphenyl)propanamide?
The InChIKey is AISGCTNOJRQXOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N2O/c1-5-23(18-11-7-6-8-12-18)15-14-20(24)22-21-17(4)10-9-13-19(21)16(2)3/h6-13,16H,5,14-15H2,1-4H3,(H,22,24).
What are the key properties of 3-(N-ethylanilino)-N-(2-methyl-6-propan-2-ylphenyl)propanamide?
3-(N-ethylanilino)-N-(2-methyl-6-propan-2-ylphenyl)propanamide has a molecular weight of 324.47 g/mol, XLogP of 4.97, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(N-ethylanilino)-N-(2-methyl-6-propan-2-ylphenyl)propanamide is sourced from PubChem (CID 109036517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).