N-(2,4-dimethoxyphenyl)undecanamide

C19H31NO3 — CID 4139645

IUPACN-(2,4-dimethoxyphenyl)undecanamide
SMILESCCCCCCCCCCC(=O)Nc1ccc(OC)cc1OC
InChIInChI=1S/C19H31NO3/c1-4-5-6-7-8-9-10-11-12-19(21)20-17-14-13-16(22-2)15-18(17)23-3/h13-15H,4-12H2,1-3H3,(H,20,21)
InChIKeyVUSNBTZVGHXEPZ-UHFFFAOYSA-N
MW321.46 g/mol
LogP5.17
Rot. Bonds12

About N-(2,4-dimethoxyphenyl)undecanamide

N-(2,4-dimethoxyphenyl)undecanamide (PubChem CID 4139645) has the molecular formula C19H31NO3 and a molecular weight of 321.46 g/mol. Its IUPAC name is N-(2,4-dimethoxyphenyl)undecanamide.

Molecular Properties

Compound NameN-(2,4-dimethoxyphenyl)undecanamide
PubChem CID4139645
Molecular FormulaC19H31NO3
Molecular Weight321.46 g/mol
Exact Mass321.23
IUPAC NameN-(2,4-dimethoxyphenyl)undecanamide
SMILESCCCCCCCCCCC(=O)Nc1ccc(OC)cc1OC
InChIInChI=1S/C19H31NO3/c1-4-5-6-7-8-9-10-11-12-19(21)20-17-14-13-16(22-2)15-18(17)23-3/h13-15H,4-12H2,1-3H3,(H,20,21)
InChIKeyVUSNBTZVGHXEPZ-UHFFFAOYSA-N
XLogP5.17
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds12
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500321.46
LogP ≤ 55.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(2,5-dimethoxyphenyl)hexadecanamide
CID 20789890
N-(2,4-dimethoxyphenyl)-5-hydroxypentanamide
CID 79019431
N-(2,4-dimethoxyphenyl)-3-(pentylamino)propanamide
CID 109032275
N-(2-amino-4-methoxyphenyl)nonanamide
CID 65449480
N-(4-amino-2-methoxyphenyl)nonanamide
CID 65447968
2-(heptanoylamino)-5-methoxybenzoic acid
CID 115410928
5-methoxy-2-(octanoylamino)benzoic acid
CID 78980039
N-[3-methoxy-4-(pentanoylamino)phenyl]hexanamide
CID 5120447
N-(2,4-dimethoxyphenyl)-4-oxo-4-(4-pentoxyphenyl)butanamide
CID 18269206
3-[3-(2,4-dimethoxyanilino)-3-oxopropyl]sulfanyl-N-(2,4-dimethoxyphenyl)propanamide
CID 2933269
N-(2-methoxy-4-nitrophenyl)octadecanamide
CID 108745127
N-(2-methoxy-4-nitrophenyl)undecanamide
CID 4164516

Frequently Asked Questions

What is the IUPAC name of N-(2,4-dimethoxyphenyl)undecanamide?
The IUPAC name of N-(2,4-dimethoxyphenyl)undecanamide (CID 4139645) is N-(2,4-dimethoxyphenyl)undecanamide.
What is the SMILES notation for N-(2,4-dimethoxyphenyl)undecanamide?
The canonical SMILES for N-(2,4-dimethoxyphenyl)undecanamide is CCCCCCCCCCC(=O)Nc1ccc(OC)cc1OC.
What is the InChIKey of N-(2,4-dimethoxyphenyl)undecanamide?
The InChIKey is VUSNBTZVGHXEPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H31NO3/c1-4-5-6-7-8-9-10-11-12-19(21)20-17-14-13-16(22-2)15-18(17)23-3/h13-15H,4-12H2,1-3H3,(H,20,21).
What are the key properties of N-(2,4-dimethoxyphenyl)undecanamide?
N-(2,4-dimethoxyphenyl)undecanamide has a molecular weight of 321.46 g/mol, XLogP of 5.17, 12 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-dimethoxyphenyl)undecanamide is sourced from PubChem (CID 4139645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).