N-(2,6-diethylphenyl)-3-(2,5-dimethoxyanilino)propanamide

C21H28N2O3 — CID 109037085

IUPACN-(2,6-diethylphenyl)-3-(2,5-dimethoxyanilino)propanamide
SMILESCCc1cccc(CC)c1NC(=O)CCNc1cc(OC)ccc1OC
InChIInChI=1S/C21H28N2O3/c1-5-15-8-7-9-16(6-2)21(15)23-20(24)12-13-22-18-14-17(25-3)10-11-19(18)26-4/h7-11,14,22H,5-6,12-13H2,1-4H3,(H,23,24)
InChIKeyQRVWFKDMGGOBKN-UHFFFAOYSA-N
MW356.47 g/mol
LogP4.27
Rot. Bonds9

About N-(2,6-diethylphenyl)-3-(2,5-dimethoxyanilino)propanamide

N-(2,6-diethylphenyl)-3-(2,5-dimethoxyanilino)propanamide (PubChem CID 109037085) has the molecular formula C21H28N2O3 and a molecular weight of 356.47 g/mol. Its IUPAC name is N-(2,6-diethylphenyl)-3-(2,5-dimethoxyanilino)propanamide.

Molecular Properties

Compound NameN-(2,6-diethylphenyl)-3-(2,5-dimethoxyanilino)propanamide
PubChem CID109037085
Molecular FormulaC21H28N2O3
Molecular Weight356.47 g/mol
Exact Mass356.21
IUPAC NameN-(2,6-diethylphenyl)-3-(2,5-dimethoxyanilino)propanamide
SMILESCCc1cccc(CC)c1NC(=O)CCNc1cc(OC)ccc1OC
InChIInChI=1S/C21H28N2O3/c1-5-15-8-7-9-16(6-2)21(15)23-20(24)12-13-22-18-14-17(25-3)10-11-19(18)26-4/h7-11,14,22H,5-6,12-13H2,1-4H3,(H,23,24)
InChIKeyQRVWFKDMGGOBKN-UHFFFAOYSA-N
XLogP4.27
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.47
LogP ≤ 54.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-chloro-2-methylphenyl)-3-(2,5-dimethoxyanilino)propanamide
CID 109038272
3-(2,5-dimethoxyanilino)-N-[(2-methylphenyl)methyl]propanamide
CID 109019183
N-(2-tert-butylphenyl)-3-(2,5-dimethoxyanilino)propanamide
CID 109037265
3-(2,6-diethylanilino)-N-(2-methoxyphenyl)propanamide
CID 109037115
N-(2,6-difluorophenyl)-3-(2,4-dimethoxyanilino)propanamide
CID 109040526
3-(2,5-dimethoxyanilino)-N-(5-methyl-1,2-oxazol-3-yl)propanamide
CID 109040419
3-(2,5-dimethoxyanilino)-N-[(4-methoxyphenyl)methyl]propanamide
CID 109022353
N,N'-bis(2,5-dimethoxyphenyl)butanediamide
CID 1011774
3-(5-chloro-2-methoxyanilino)-N-(2,6-difluorophenyl)propanamide
CID 109039179
2-(2,4-dimethoxyanilino)-N-(2-ethyl-6-methylphenyl)acetamide
CID 8965693
3-(2-ethyl-6-methylanilino)-N-(2-methoxyphenyl)propanamide
CID 109036653
3-(2,5-dimethoxyanilino)-N-[(3,4-dimethoxyphenyl)methyl]propanamide
CID 109028189

Frequently Asked Questions

What is the IUPAC name of N-(2,6-diethylphenyl)-3-(2,5-dimethoxyanilino)propanamide?
The IUPAC name of N-(2,6-diethylphenyl)-3-(2,5-dimethoxyanilino)propanamide (CID 109037085) is N-(2,6-diethylphenyl)-3-(2,5-dimethoxyanilino)propanamide.
What is the SMILES notation for N-(2,6-diethylphenyl)-3-(2,5-dimethoxyanilino)propanamide?
The canonical SMILES for N-(2,6-diethylphenyl)-3-(2,5-dimethoxyanilino)propanamide is CCc1cccc(CC)c1NC(=O)CCNc1cc(OC)ccc1OC.
What is the InChIKey of N-(2,6-diethylphenyl)-3-(2,5-dimethoxyanilino)propanamide?
The InChIKey is QRVWFKDMGGOBKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N2O3/c1-5-15-8-7-9-16(6-2)21(15)23-20(24)12-13-22-18-14-17(25-3)10-11-19(18)26-4/h7-11,14,22H,5-6,12-13H2,1-4H3,(H,23,24).
What are the key properties of N-(2,6-diethylphenyl)-3-(2,5-dimethoxyanilino)propanamide?
N-(2,6-diethylphenyl)-3-(2,5-dimethoxyanilino)propanamide has a molecular weight of 356.47 g/mol, XLogP of 4.27, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,6-diethylphenyl)-3-(2,5-dimethoxyanilino)propanamide is sourced from PubChem (CID 109037085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).