2-(diethylamino)-N-(2,6-dimethylphenyl)acetamide;N-[(4-hydroxy-3-methoxyphenyl)methyl]nonanamide

C31H49N3O4 — CID 68814449

IUPAC2-(diethylamino)-N-(2,6-dimethylphenyl)acetamide;N-[(4-hydroxy-3-methoxyphenyl)methyl]nonanamide
SMILESCCCCCCCCC(=O)NCc1ccc(O)c(OC)c1.CCN(CC)CC(=O)Nc1c(C)cccc1C
InChIInChI=1S/C17H27NO3.C14H22N2O/c1-3-4-5-6-7-8-9-17(20)18-13-14-10-11-15(19)16(12-14)21-2;1-5-16(6-2)10-13(17)15-14-11(3)8-7-9-12(14)4/h10-12,19H,3-9,13H2,1-2H3,(H,18,20);7-9H,5-6,10H2,1-4H3,(H,15,17)
InChIKeyUKPGPSWHVQFLRG-UHFFFAOYSA-N
MW527.75 g/mol
LogP6.35
Rot. Bonds15

About 2-(diethylamino)-N-(2,6-dimethylphenyl)acetamide;N-[(4-hydroxy-3-methoxyphenyl)methyl]nonanamide

2-(diethylamino)-N-(2,6-dimethylphenyl)acetamide;N-[(4-hydroxy-3-methoxyphenyl)methyl]nonanamide (PubChem CID 68814449) has the molecular formula C31H49N3O4 and a molecular weight of 527.75 g/mol. Its IUPAC name is 2-(diethylamino)-N-(2,6-dimethylphenyl)acetamide;N-[(4-hydroxy-3-methoxyphenyl)methyl]nonanamide.

Molecular Properties

Compound Name2-(diethylamino)-N-(2,6-dimethylphenyl)acetamide;N-[(4-hydroxy-3-methoxyphenyl)methyl]nonanamide
PubChem CID68814449
Molecular FormulaC31H49N3O4
Molecular Weight527.75 g/mol
Exact Mass527.37
IUPAC Name2-(diethylamino)-N-(2,6-dimethylphenyl)acetamide;N-[(4-hydroxy-3-methoxyphenyl)methyl]nonanamide
SMILESCCCCCCCCC(=O)NCc1ccc(O)c(OC)c1.CCN(CC)CC(=O)Nc1c(C)cccc1C
InChIInChI=1S/C17H27NO3.C14H22N2O/c1-3-4-5-6-7-8-9-17(20)18-13-14-10-11-15(19)16(12-14)21-2;1-5-16(6-2)10-13(17)15-14-11(3)8-7-9-12(14)4/h10-12,19H,3-9,13H2,1-2H3,(H,18,20);7-9H,5-6,10H2,1-4H3,(H,15,17)
InChIKeyUKPGPSWHVQFLRG-UHFFFAOYSA-N
XLogP6.35
TPSA90.90 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds15
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500527.75
LogP ≤ 56.35
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[(4-hydroxy-3-methoxyphenyl)methyl]nonanamide
CID 2998
N-[(4-hydroxy-3-methoxyphenyl)methyl]heptanamide acetate
CID 20976476
N-[[3-[5-(2,6-dimethylanilino)-4-[ethyl(propyl)amino]-5-oxopentoxy]-4-hydroxyphenyl]methyl]nonanamide
CID 24768772
N-[(4-hydroxy-3-methoxyphenyl)methyl]nonanamide;methyl 3-amino-4-hydroxybenzoate
CID 68817622
N-[(4-hydroxy-3-methoxyphenyl)methyl]undec-10-ynamide
CID 3032050
bis(2-(diethylamino)-N-(2,6-dimethylphenyl)acetamide);dihydrochloride
CID 69335483
CID 89442401
CID 89442401
N-(2,6-dimethylphenyl)tetradecanamide
CID 54789598
N-[(4-hydroxy-3-methoxyphenyl)methyl]non-6-ynamide
CID 156856948
2-(diethylamino)-N-(2,6-dimethylphenyl)acetamide;4-tetradecylbenzenesulfonic acid
CID 155092479
2-(diethylamino)-N-(2,6-dimethylphenyl)acetamide;formic acid
CID 166652856
N-[[3-[(henicosanoylamino)methyl]phenyl]methyl]henicosanamide
CID 101291080

Frequently Asked Questions

What is the IUPAC name of 2-(diethylamino)-N-(2,6-dimethylphenyl)acetamide;N-[(4-hydroxy-3-methoxyphenyl)methyl]nonanamide?
The IUPAC name of 2-(diethylamino)-N-(2,6-dimethylphenyl)acetamide;N-[(4-hydroxy-3-methoxyphenyl)methyl]nonanamide (CID 68814449) is 2-(diethylamino)-N-(2,6-dimethylphenyl)acetamide;N-[(4-hydroxy-3-methoxyphenyl)methyl]nonanamide.
What is the SMILES notation for 2-(diethylamino)-N-(2,6-dimethylphenyl)acetamide;N-[(4-hydroxy-3-methoxyphenyl)methyl]nonanamide?
The canonical SMILES for 2-(diethylamino)-N-(2,6-dimethylphenyl)acetamide;N-[(4-hydroxy-3-methoxyphenyl)methyl]nonanamide is CCCCCCCCC(=O)NCc1ccc(O)c(OC)c1.CCN(CC)CC(=O)Nc1c(C)cccc1C.
What is the InChIKey of 2-(diethylamino)-N-(2,6-dimethylphenyl)acetamide;N-[(4-hydroxy-3-methoxyphenyl)methyl]nonanamide?
The InChIKey is UKPGPSWHVQFLRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27NO3.C14H22N2O/c1-3-4-5-6-7-8-9-17(20)18-13-14-10-11-15(19)16(12-14)21-2;1-5-16(6-2)10-13(17)15-14-11(3)8-7-9-12(14)4/h10-12,19H,3-9,13H2,1-2H3,(H,18,20);7-9H,5-6,10H2,1-4H3,(H,15,17).
What are the key properties of 2-(diethylamino)-N-(2,6-dimethylphenyl)acetamide;N-[(4-hydroxy-3-methoxyphenyl)methyl]nonanamide?
2-(diethylamino)-N-(2,6-dimethylphenyl)acetamide;N-[(4-hydroxy-3-methoxyphenyl)methyl]nonanamide has a molecular weight of 527.75 g/mol, XLogP of 6.35, 15 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(diethylamino)-N-(2,6-dimethylphenyl)acetamide;N-[(4-hydroxy-3-methoxyphenyl)methyl]nonanamide is sourced from PubChem (CID 68814449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).