N-dodec-1-enyl-2-(4-hydroxy-3-methoxyphenyl)acetamide

C21H33NO3 — CID 57250205

IUPACN-dodec-1-enyl-2-(4-hydroxy-3-methoxyphenyl)acetamide
SMILESCCCCCCCCCCC=CNC(=O)Cc1ccc(O)c(OC)c1
InChIInChI=1S/C21H33NO3/c1-3-4-5-6-7-8-9-10-11-12-15-22-21(24)17-18-13-14-19(23)20(16-18)25-2/h12-16,23H,3-11,17H2,1-2H3,(H,22,24)
InChIKeyYUUFITADCFHWKE-UHFFFAOYSA-N
MW347.50 g/mol
LogP5.10
Rot. Bonds13

About N-dodec-1-enyl-2-(4-hydroxy-3-methoxyphenyl)acetamide

N-dodec-1-enyl-2-(4-hydroxy-3-methoxyphenyl)acetamide (PubChem CID 57250205) has the molecular formula C21H33NO3 and a molecular weight of 347.50 g/mol. Its IUPAC name is N-dodec-1-enyl-2-(4-hydroxy-3-methoxyphenyl)acetamide.

Molecular Properties

Compound NameN-dodec-1-enyl-2-(4-hydroxy-3-methoxyphenyl)acetamide
PubChem CID57250205
Molecular FormulaC21H33NO3
Molecular Weight347.50 g/mol
Exact Mass347.25
IUPAC NameN-dodec-1-enyl-2-(4-hydroxy-3-methoxyphenyl)acetamide
SMILESCCCCCCCCCCC=CNC(=O)Cc1ccc(O)c(OC)c1
InChIInChI=1S/C21H33NO3/c1-3-4-5-6-7-8-9-10-11-12-15-22-21(24)17-18-13-14-19(23)20(16-18)25-2/h12-16,23H,3-11,17H2,1-2H3,(H,22,24)
InChIKeyYUUFITADCFHWKE-UHFFFAOYSA-N
XLogP5.10
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds13
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500347.50
LogP ≤ 55.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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
(Z)-N-hydroxy-N-[(4-hydroxy-3-methoxyphenyl)methyl]octadec-9-enamide
CID 66562707
[(4-hydroxy-3-methoxyphenyl)methylamino] icosa-5,8,11,14-tetraenoate
CID 174958376
1-[(4-hydroxy-3-methoxyphenyl)methyl]-3-[(4Z,7Z,10Z,13Z)-nonadeca-4,7,10,13-tetraenyl]urea
CID 10027004
[2-[(4-hydroxy-3-methoxyphenyl)methylamino]-2-oxoethyl] (2Z)-docosa-2,4,6,8,10,13,15-heptaenoate
CID 150292783
1-(4-hydroxy-3-methoxyphenyl)nonadec-10-en-1-one
CID 68578323
N-[(4-hydroxy-3-methoxyphenyl)methyl]heptanamide acetate
CID 20976476
2-(4-hydroxy-3-methoxyphenyl)-N-(4-pentylcyclohexyl)acetamide
CID 12004061
2-(4-hydroxy-3-methoxyphenyl)icos-11-enamide
CID 57346587
1-[[4-(2-aminoethoxy)-3-methoxyphenyl]methyl]-3-[(E)-octadec-1-enyl]urea
CID 19904771
2-methoxy-4-[(nonylamino)methyl]phenol
CID 15788102
(4-hydroxy-3-methoxyphenyl)methyl undecanoate
CID 15979965

Frequently Asked Questions

What is the IUPAC name of N-dodec-1-enyl-2-(4-hydroxy-3-methoxyphenyl)acetamide?
The IUPAC name of N-dodec-1-enyl-2-(4-hydroxy-3-methoxyphenyl)acetamide (CID 57250205) is N-dodec-1-enyl-2-(4-hydroxy-3-methoxyphenyl)acetamide.
What is the SMILES notation for N-dodec-1-enyl-2-(4-hydroxy-3-methoxyphenyl)acetamide?
The canonical SMILES for N-dodec-1-enyl-2-(4-hydroxy-3-methoxyphenyl)acetamide is CCCCCCCCCCC=CNC(=O)Cc1ccc(O)c(OC)c1.
What is the InChIKey of N-dodec-1-enyl-2-(4-hydroxy-3-methoxyphenyl)acetamide?
The InChIKey is YUUFITADCFHWKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H33NO3/c1-3-4-5-6-7-8-9-10-11-12-15-22-21(24)17-18-13-14-19(23)20(16-18)25-2/h12-16,23H,3-11,17H2,1-2H3,(H,22,24).
What are the key properties of N-dodec-1-enyl-2-(4-hydroxy-3-methoxyphenyl)acetamide?
N-dodec-1-enyl-2-(4-hydroxy-3-methoxyphenyl)acetamide has a molecular weight of 347.50 g/mol, XLogP of 5.10, 13 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-dodec-1-enyl-2-(4-hydroxy-3-methoxyphenyl)acetamide is sourced from PubChem (CID 57250205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).