N-[2-(decanoylamino)-3,4,5,6-tetramethylphenyl]decanamide

C30H52N2O2 — CID 101068768

IUPACN-[2-(decanoylamino)-3,4,5,6-tetramethylphenyl]decanamide
SMILESCCCCCCCCCC(=O)Nc1c(C)c(C)c(C)c(C)c1NC(=O)CCCCCCCCC
InChIInChI=1S/C30H52N2O2/c1-7-9-11-13-15-17-19-21-27(33)31-29-25(5)23(3)24(4)26(6)30(29)32-28(34)22-20-18-16-14-12-10-8-2/h7-22H2,1-6H3,(H,31,33)(H,32,34)
InChIKeyWKFVATGVFHGVMY-UHFFFAOYSA-N
MW472.76 g/mol
LogP9.08
Rot. Bonds18

About N-[2-(decanoylamino)-3,4,5,6-tetramethylphenyl]decanamide

N-[2-(decanoylamino)-3,4,5,6-tetramethylphenyl]decanamide (PubChem CID 101068768) has the molecular formula C30H52N2O2 and a molecular weight of 472.76 g/mol. Its IUPAC name is N-[2-(decanoylamino)-3,4,5,6-tetramethylphenyl]decanamide.

Molecular Properties

Compound NameN-[2-(decanoylamino)-3,4,5,6-tetramethylphenyl]decanamide
PubChem CID101068768
Molecular FormulaC30H52N2O2
Molecular Weight472.76 g/mol
Exact Mass472.40
IUPAC NameN-[2-(decanoylamino)-3,4,5,6-tetramethylphenyl]decanamide
SMILESCCCCCCCCCC(=O)Nc1c(C)c(C)c(C)c(C)c1NC(=O)CCCCCCCCC
InChIInChI=1S/C30H52N2O2/c1-7-9-11-13-15-17-19-21-27(33)31-29-25(5)23(3)24(4)26(6)30(29)32-28(34)22-20-18-16-14-12-10-8-2/h7-22H2,1-6H3,(H,31,33)(H,32,34)
InChIKeyWKFVATGVFHGVMY-UHFFFAOYSA-N
XLogP9.08
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds18
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500472.76
LogP ≤ 59.08
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-[2,3,5,6-tetramethyl-4-(undecanoylamino)phenyl]undecanamide
CID 100965559
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-(decanoylamino)-3,4,5,6-tetramethylphenyl]decanamide?
The IUPAC name of N-[2-(decanoylamino)-3,4,5,6-tetramethylphenyl]decanamide (CID 101068768) is N-[2-(decanoylamino)-3,4,5,6-tetramethylphenyl]decanamide.
What is the SMILES notation for N-[2-(decanoylamino)-3,4,5,6-tetramethylphenyl]decanamide?
The canonical SMILES for N-[2-(decanoylamino)-3,4,5,6-tetramethylphenyl]decanamide is CCCCCCCCCC(=O)Nc1c(C)c(C)c(C)c(C)c1NC(=O)CCCCCCCCC.
What is the InChIKey of N-[2-(decanoylamino)-3,4,5,6-tetramethylphenyl]decanamide?
The InChIKey is WKFVATGVFHGVMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H52N2O2/c1-7-9-11-13-15-17-19-21-27(33)31-29-25(5)23(3)24(4)26(6)30(29)32-28(34)22-20-18-16-14-12-10-8-2/h7-22H2,1-6H3,(H,31,33)(H,32,34).
What are the key properties of N-[2-(decanoylamino)-3,4,5,6-tetramethylphenyl]decanamide?
N-[2-(decanoylamino)-3,4,5,6-tetramethylphenyl]decanamide has a molecular weight of 472.76 g/mol, XLogP of 9.08, 18 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(decanoylamino)-3,4,5,6-tetramethylphenyl]decanamide is sourced from PubChem (CID 101068768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).