N-[2,3,5,6-tetramethyl-4-(undecanoylamino)phenyl]undecanamide

C32H56N2O2 — CID 100965559

IUPACN-[2,3,5,6-tetramethyl-4-(undecanoylamino)phenyl]undecanamide
SMILESCCCCCCCCCCC(=O)Nc1c(C)c(C)c(NC(=O)CCCCCCCCCC)c(C)c1C
InChIInChI=1S/C32H56N2O2/c1-7-9-11-13-15-17-19-21-23-29(35)33-31-25(3)27(5)32(28(6)26(31)4)34-30(36)24-22-20-18-16-14-12-10-8-2/h7-24H2,1-6H3,(H,33,35)(H,34,36)
InChIKeyZLPBWUDWEXBYNY-UHFFFAOYSA-N
MW500.81 g/mol
LogP9.86
Rot. Bonds20

About N-[2,3,5,6-tetramethyl-4-(undecanoylamino)phenyl]undecanamide

N-[2,3,5,6-tetramethyl-4-(undecanoylamino)phenyl]undecanamide (PubChem CID 100965559) has the molecular formula C32H56N2O2 and a molecular weight of 500.81 g/mol. Its IUPAC name is N-[2,3,5,6-tetramethyl-4-(undecanoylamino)phenyl]undecanamide.

Molecular Properties

Compound NameN-[2,3,5,6-tetramethyl-4-(undecanoylamino)phenyl]undecanamide
PubChem CID100965559
Molecular FormulaC32H56N2O2
Molecular Weight500.81 g/mol
Exact Mass500.43
IUPAC NameN-[2,3,5,6-tetramethyl-4-(undecanoylamino)phenyl]undecanamide
SMILESCCCCCCCCCCC(=O)Nc1c(C)c(C)c(NC(=O)CCCCCCCCCC)c(C)c1C
InChIInChI=1S/C32H56N2O2/c1-7-9-11-13-15-17-19-21-23-29(35)33-31-25(3)27(5)32(28(6)26(31)4)34-30(36)24-22-20-18-16-14-12-10-8-2/h7-24H2,1-6H3,(H,33,35)(H,34,36)
InChIKeyZLPBWUDWEXBYNY-UHFFFAOYSA-N
XLogP9.86
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds20
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500500.81
LogP ≤ 59.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(decanoylamino)-3,4,5,6-tetramethylphenyl]decanamide
CID 101068768
N-[2,3,4,5-tetramethyl-6-(pentanoylamino)phenyl]pentanamide
CID 101068763
N-(2,5-dihydroxy-3,4,6-trimethylphenyl)undecanamide
CID 19788212
N-(2,3,4,5,6-pentafluorophenyl)undecanamide
CID 3554716
N-(2,6-dimethylphenyl)tetradecanamide
CID 54789598
N-(3-amino-2,6-dimethylphenyl)decanamide
CID 65448531
N-(2,5-dihydroxy-3,4-dimethoxy-6-methylphenyl)hexadecanamide
CID 19788185
N-(2,5-dihydroxy-3,4-dimethoxy-6-methylphenyl)octadecanamide
CID 19788230
N-[4-(icosanoylamino)phenyl]icosanamide
CID 101291044
N-(2-ethyl-6-methylphenyl)tetradecanamide
CID 54789893
N-(2,6-dichlorophenyl)decanamide
CID 3269237
N-(4-hydroxy-2,3,5-trimethylphenyl)undecanamide
CID 19788174

Frequently Asked Questions

What is the IUPAC name of N-[2,3,5,6-tetramethyl-4-(undecanoylamino)phenyl]undecanamide?
The IUPAC name of N-[2,3,5,6-tetramethyl-4-(undecanoylamino)phenyl]undecanamide (CID 100965559) is N-[2,3,5,6-tetramethyl-4-(undecanoylamino)phenyl]undecanamide.
What is the SMILES notation for N-[2,3,5,6-tetramethyl-4-(undecanoylamino)phenyl]undecanamide?
The canonical SMILES for N-[2,3,5,6-tetramethyl-4-(undecanoylamino)phenyl]undecanamide is CCCCCCCCCCC(=O)Nc1c(C)c(C)c(NC(=O)CCCCCCCCCC)c(C)c1C.
What is the InChIKey of N-[2,3,5,6-tetramethyl-4-(undecanoylamino)phenyl]undecanamide?
The InChIKey is ZLPBWUDWEXBYNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H56N2O2/c1-7-9-11-13-15-17-19-21-23-29(35)33-31-25(3)27(5)32(28(6)26(31)4)34-30(36)24-22-20-18-16-14-12-10-8-2/h7-24H2,1-6H3,(H,33,35)(H,34,36).
What are the key properties of N-[2,3,5,6-tetramethyl-4-(undecanoylamino)phenyl]undecanamide?
N-[2,3,5,6-tetramethyl-4-(undecanoylamino)phenyl]undecanamide has a molecular weight of 500.81 g/mol, XLogP of 9.86, 20 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2,3,5,6-tetramethyl-4-(undecanoylamino)phenyl]undecanamide is sourced from PubChem (CID 100965559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).