3-(2,6-diethylanilino)-N-(4-methylphenyl)propanamide

C20H26N2O — CID 109034349

IUPAC3-(2,6-diethylanilino)-N-(4-methylphenyl)propanamide
SMILESCCc1cccc(CC)c1NCCC(=O)Nc1ccc(C)cc1
InChIInChI=1S/C20H26N2O/c1-4-16-7-6-8-17(5-2)20(16)21-14-13-19(23)22-18-11-9-15(3)10-12-18/h6-12,21H,4-5,13-14H2,1-3H3,(H,22,23)
InChIKeyBVFDAQMEWXRYLV-UHFFFAOYSA-N
MW310.44 g/mol
LogP4.56
Rot. Bonds7

About 3-(2,6-diethylanilino)-N-(4-methylphenyl)propanamide

3-(2,6-diethylanilino)-N-(4-methylphenyl)propanamide (PubChem CID 109034349) has the molecular formula C20H26N2O and a molecular weight of 310.44 g/mol. Its IUPAC name is 3-(2,6-diethylanilino)-N-(4-methylphenyl)propanamide.

Molecular Properties

Compound Name3-(2,6-diethylanilino)-N-(4-methylphenyl)propanamide
PubChem CID109034349
Molecular FormulaC20H26N2O
Molecular Weight310.44 g/mol
Exact Mass310.20
IUPAC Name3-(2,6-diethylanilino)-N-(4-methylphenyl)propanamide
SMILESCCc1cccc(CC)c1NCCC(=O)Nc1ccc(C)cc1
InChIInChI=1S/C20H26N2O/c1-4-16-7-6-8-17(5-2)20(16)21-14-13-19(23)22-18-11-9-15(3)10-12-18/h6-12,21H,4-5,13-14H2,1-3H3,(H,22,23)
InChIKeyBVFDAQMEWXRYLV-UHFFFAOYSA-N
XLogP4.56
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.44
LogP ≤ 54.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-(2-ethyl-6-methylanilino)-N-(4-methylphenyl)propanamide
CID 109034345
N-(4-ethylphenyl)-3-(4-methylanilino)propanamide
CID 109034443
3-(2,6-diethylanilino)-N-(2,6-difluorophenyl)propanamide
CID 109037146
3-(2,6-diethylanilino)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)propanamide
CID 109037137
N-(3-cyanophenyl)-3-(2,6-diethylanilino)propanamide
CID 109037144
3-[4-(diethylamino)anilino]-N-(2-ethyl-6-methylphenyl)propanamide
CID 109036621
N-(2,6-diethylphenyl)-3-(4-methylphenyl)propanamide
CID 19220419
N-(3-fluorophenyl)-3-(4-methylanilino)propanamide
CID 109034497
3-(2-fluoroanilino)-N-(4-methylphenyl)propanamide
CID 109034353
3-(2,6-diethylanilino)-N-(2-methoxyphenyl)propanamide
CID 109037115
3-(2,6-diethylanilino)-N-[(3-methylphenyl)methyl]propanamide
CID 109019490
N-(2-ethyl-6-methylphenyl)-3-[(4-methylphenyl)methylamino]propanamide
CID 109019985

Frequently Asked Questions

What is the IUPAC name of 3-(2,6-diethylanilino)-N-(4-methylphenyl)propanamide?
The IUPAC name of 3-(2,6-diethylanilino)-N-(4-methylphenyl)propanamide (CID 109034349) is 3-(2,6-diethylanilino)-N-(4-methylphenyl)propanamide.
What is the SMILES notation for 3-(2,6-diethylanilino)-N-(4-methylphenyl)propanamide?
The canonical SMILES for 3-(2,6-diethylanilino)-N-(4-methylphenyl)propanamide is CCc1cccc(CC)c1NCCC(=O)Nc1ccc(C)cc1.
What is the InChIKey of 3-(2,6-diethylanilino)-N-(4-methylphenyl)propanamide?
The InChIKey is BVFDAQMEWXRYLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N2O/c1-4-16-7-6-8-17(5-2)20(16)21-14-13-19(23)22-18-11-9-15(3)10-12-18/h6-12,21H,4-5,13-14H2,1-3H3,(H,22,23).
What are the key properties of 3-(2,6-diethylanilino)-N-(4-methylphenyl)propanamide?
3-(2,6-diethylanilino)-N-(4-methylphenyl)propanamide has a molecular weight of 310.44 g/mol, XLogP of 4.56, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,6-diethylanilino)-N-(4-methylphenyl)propanamide is sourced from PubChem (CID 109034349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).