2-(3,4-dimethylphenoxy)-N-[8-[[2-(3,4-dimethylphenoxy)acetyl]amino]octyl]acetamide

C28H40N2O4 — CID 17233359

IUPAC2-(3,4-dimethylphenoxy)-N-[8-[[2-(3,4-dimethylphenoxy)acetyl]amino]octyl]acetamide
SMILESCc1ccc(OCC(=O)NCCCCCCCCNC(=O)COc2ccc(C)c(C)c2)cc1C
InChIInChI=1S/C28H40N2O4/c1-21-11-13-25(17-23(21)3)33-19-27(31)29-15-9-7-5-6-8-10-16-30-28(32)20-34-26-14-12-22(2)24(4)18-26/h11-14,17-18H,5-10,15-16,19-20H2,1-4H3,(H,29,31)(H,30,32)
InChIKeyLLHLTCYQYMTITA-UHFFFAOYSA-N
MW468.64 g/mol
LogP4.95
Rot. Bonds15

About 2-(3,4-dimethylphenoxy)-N-[8-[[2-(3,4-dimethylphenoxy)acetyl]amino]octyl]acetamide

2-(3,4-dimethylphenoxy)-N-[8-[[2-(3,4-dimethylphenoxy)acetyl]amino]octyl]acetamide (PubChem CID 17233359) has the molecular formula C28H40N2O4 and a molecular weight of 468.64 g/mol. Its IUPAC name is 2-(3,4-dimethylphenoxy)-N-[8-[[2-(3,4-dimethylphenoxy)acetyl]amino]octyl]acetamide.

Molecular Properties

Compound Name2-(3,4-dimethylphenoxy)-N-[8-[[2-(3,4-dimethylphenoxy)acetyl]amino]octyl]acetamide
PubChem CID17233359
Molecular FormulaC28H40N2O4
Molecular Weight468.64 g/mol
Exact Mass468.30
IUPAC Name2-(3,4-dimethylphenoxy)-N-[8-[[2-(3,4-dimethylphenoxy)acetyl]amino]octyl]acetamide
SMILESCc1ccc(OCC(=O)NCCCCCCCCNC(=O)COc2ccc(C)c(C)c2)cc1C
InChIInChI=1S/C28H40N2O4/c1-21-11-13-25(17-23(21)3)33-19-27(31)29-15-9-7-5-6-8-10-16-30-28(32)20-34-26-14-12-22(2)24(4)18-26/h11-14,17-18H,5-10,15-16,19-20H2,1-4H3,(H,29,31)(H,30,32)
InChIKeyLLHLTCYQYMTITA-UHFFFAOYSA-N
XLogP4.95
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds15
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500468.64
LogP ≤ 54.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2-(3,4-dimethylphenoxy)-N-[8-[[2-(3,4-dimethylphenoxy)acetyl]amino]octyl]acetamide with MolForge

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Related Compounds

2-(4-chloro-3-methylphenoxy)-N-[8-[[2-(4-chloro-3-methylphenoxy)acetyl]amino]octyl]acetamide
CID 17233325
ethyl 4-[[2-(3,4-dimethylphenoxy)acetyl]amino]butanoate
CID 60624626
methyl N-[2-[[2-(3,4-dimethylphenoxy)acetyl]amino]ethyl]carbamate
CID 108572647
5-[[2-(3,4-dimethylphenoxy)acetyl]amino]-2-methylpentanoic acid
CID 104682442
2-(3,4-dimethylphenoxy)-N-(3-methylbutyl)acetamide
CID 21368057
N-[2-(dimethylamino)ethyl]-2-(3,4-dimethylphenoxy)acetamide
CID 19165327
2-[[2-(3,4-dimethylphenoxy)acetyl]amino]-N-methylacetamide
CID 17404287
N-[3-[[2-(3,4-dimethylphenoxy)acetyl]amino]propyl]pyridine-4-carboxamide
CID 2987876
2-(3,4-dimethylphenoxy)-N-[2-(methanesulfonamido)ethyl]acetamide
CID 36904254
2-(3,4-dimethylphenoxy)-N-[2-(3,5-dimethylphenoxy)ethyl]acetamide
CID 19174002
phenyl N-[2-[[2-(3,4-dimethylphenoxy)acetyl]amino]ethyl]carbamate
CID 108572636
2-(4-chlorophenyl)-N-[2-[[2-(3,4-dimethylphenoxy)acetyl]amino]ethyl]acetamide
CID 108572637

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dimethylphenoxy)-N-[8-[[2-(3,4-dimethylphenoxy)acetyl]amino]octyl]acetamide?
The IUPAC name of 2-(3,4-dimethylphenoxy)-N-[8-[[2-(3,4-dimethylphenoxy)acetyl]amino]octyl]acetamide (CID 17233359) is 2-(3,4-dimethylphenoxy)-N-[8-[[2-(3,4-dimethylphenoxy)acetyl]amino]octyl]acetamide.
What is the SMILES notation for 2-(3,4-dimethylphenoxy)-N-[8-[[2-(3,4-dimethylphenoxy)acetyl]amino]octyl]acetamide?
The canonical SMILES for 2-(3,4-dimethylphenoxy)-N-[8-[[2-(3,4-dimethylphenoxy)acetyl]amino]octyl]acetamide is Cc1ccc(OCC(=O)NCCCCCCCCNC(=O)COc2ccc(C)c(C)c2)cc1C.
What is the InChIKey of 2-(3,4-dimethylphenoxy)-N-[8-[[2-(3,4-dimethylphenoxy)acetyl]amino]octyl]acetamide?
The InChIKey is LLHLTCYQYMTITA-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H40N2O4/c1-21-11-13-25(17-23(21)3)33-19-27(31)29-15-9-7-5-6-8-10-16-30-28(32)20-34-26-14-12-22(2)24(4)18-26/h11-14,17-18H,5-10,15-16,19-20H2,1-4H3,(H,29,31)(H,30,32).
What are the key properties of 2-(3,4-dimethylphenoxy)-N-[8-[[2-(3,4-dimethylphenoxy)acetyl]amino]octyl]acetamide?
2-(3,4-dimethylphenoxy)-N-[8-[[2-(3,4-dimethylphenoxy)acetyl]amino]octyl]acetamide has a molecular weight of 468.64 g/mol, XLogP of 4.95, 15 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dimethylphenoxy)-N-[8-[[2-(3,4-dimethylphenoxy)acetyl]amino]octyl]acetamide is sourced from PubChem (CID 17233359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).