3-(N-acetylanilino)-N-(2,6-diethylphenyl)propanamide

C21H26N2O2 — CID 113123442

IUPAC3-(N-acetylanilino)-N-(2,6-diethylphenyl)propanamide
SMILESCCc1cccc(CC)c1NC(=O)CCN(C(C)=O)c1ccccc1
InChIInChI=1S/C21H26N2O2/c1-4-17-10-9-11-18(5-2)21(17)22-20(25)14-15-23(16(3)24)19-12-7-6-8-13-19/h6-13H,4-5,14-15H2,1-3H3,(H,22,25)
InChIKeyACDHRZQJWQYNJY-UHFFFAOYSA-N
MW338.45 g/mol
LogP4.19
Rot. Bonds7

About 3-(N-acetylanilino)-N-(2,6-diethylphenyl)propanamide

3-(N-acetylanilino)-N-(2,6-diethylphenyl)propanamide (PubChem CID 113123442) has the molecular formula C21H26N2O2 and a molecular weight of 338.45 g/mol. Its IUPAC name is 3-(N-acetylanilino)-N-(2,6-diethylphenyl)propanamide.

Molecular Properties

Compound Name3-(N-acetylanilino)-N-(2,6-diethylphenyl)propanamide
PubChem CID113123442
Molecular FormulaC21H26N2O2
Molecular Weight338.45 g/mol
Exact Mass338.20
IUPAC Name3-(N-acetylanilino)-N-(2,6-diethylphenyl)propanamide
SMILESCCc1cccc(CC)c1NC(=O)CCN(C(C)=O)c1ccccc1
InChIInChI=1S/C21H26N2O2/c1-4-17-10-9-11-18(5-2)21(17)22-20(25)14-15-23(16(3)24)19-12-7-6-8-13-19/h6-13H,4-5,14-15H2,1-3H3,(H,22,25)
InChIKeyACDHRZQJWQYNJY-UHFFFAOYSA-N
XLogP4.19
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.45
LogP ≤ 54.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-(3-acetamido-N-acetylanilino)-N-(2,6-diethylphenyl)propanamide
CID 113131019
2-(N-acetylanilino)-N-(2-ethyl-6-methylphenyl)acetamide
CID 113167169
3-(N-acetyl-4-ethylanilino)-N-(2,6-difluorophenyl)propanamide
CID 113125495
3-(N-acetyl-4-ethylanilino)-N-(2,6-dichlorophenyl)propanamide
CID 113125485
3-(N-acetyl-2,4-difluoroanilino)-N-(2,6-diethylphenyl)propanamide
CID 113133486
3-(N-acetyl-2-chloroanilino)-N-(2-ethyl-6-methylphenyl)propanamide
CID 113127103
N-(2,6-diethylphenyl)-3-(dipropylamino)propanamide
CID 109033127
3-(N-acetyl-3,4-dimethoxyanilino)-N-(2-ethyl-6-methylphenyl)propanamide
CID 113130255
2-[N-acetyl-4-(diethylamino)anilino]-N-(2,6-diethylphenyl)acetamide
CID 113176902
N-(2,6-diethylphenyl)-4-oxopentanamide
CID 65419318
3-(N-acetyl-4-ethoxyanilino)-N-(2-ethylphenyl)propanamide
CID 113129456
3-(N-acetyl-3-cyanoanilino)-N-(2-ethylphenyl)propanamide
CID 113134926

Frequently Asked Questions

What is the IUPAC name of 3-(N-acetylanilino)-N-(2,6-diethylphenyl)propanamide?
The IUPAC name of 3-(N-acetylanilino)-N-(2,6-diethylphenyl)propanamide (CID 113123442) is 3-(N-acetylanilino)-N-(2,6-diethylphenyl)propanamide.
What is the SMILES notation for 3-(N-acetylanilino)-N-(2,6-diethylphenyl)propanamide?
The canonical SMILES for 3-(N-acetylanilino)-N-(2,6-diethylphenyl)propanamide is CCc1cccc(CC)c1NC(=O)CCN(C(C)=O)c1ccccc1.
What is the InChIKey of 3-(N-acetylanilino)-N-(2,6-diethylphenyl)propanamide?
The InChIKey is ACDHRZQJWQYNJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N2O2/c1-4-17-10-9-11-18(5-2)21(17)22-20(25)14-15-23(16(3)24)19-12-7-6-8-13-19/h6-13H,4-5,14-15H2,1-3H3,(H,22,25).
What are the key properties of 3-(N-acetylanilino)-N-(2,6-diethylphenyl)propanamide?
3-(N-acetylanilino)-N-(2,6-diethylphenyl)propanamide has a molecular weight of 338.45 g/mol, XLogP of 4.19, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(N-acetylanilino)-N-(2,6-diethylphenyl)propanamide is sourced from PubChem (CID 113123442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).