2-(2-propan-2-ylphenoxy)-N-[8-[[2-(2-propan-2-ylphenoxy)acetyl]amino]octyl]acetamide

C30H44N2O4 — CID 17233327

IUPAC2-(2-propan-2-ylphenoxy)-N-[8-[[2-(2-propan-2-ylphenoxy)acetyl]amino]octyl]acetamide
SMILESCC(C)c1ccccc1OCC(=O)NCCCCCCCCNC(=O)COc1ccccc1C(C)C
InChIInChI=1S/C30H44N2O4/c1-23(2)25-15-9-11-17-27(25)35-21-29(33)31-19-13-7-5-6-8-14-20-32-30(34)22-36-28-18-12-10-16-26(28)24(3)4/h9-12,15-18,23-24H,5-8,13-14,19-22H2,1-4H3,(H,31,33)(H,32,34)
InChIKeyZJOHKHPCTLRDGV-UHFFFAOYSA-N
MW496.69 g/mol
LogP5.96
Rot. Bonds17

About 2-(2-propan-2-ylphenoxy)-N-[8-[[2-(2-propan-2-ylphenoxy)acetyl]amino]octyl]acetamide

2-(2-propan-2-ylphenoxy)-N-[8-[[2-(2-propan-2-ylphenoxy)acetyl]amino]octyl]acetamide (PubChem CID 17233327) has the molecular formula C30H44N2O4 and a molecular weight of 496.69 g/mol. Its IUPAC name is 2-(2-propan-2-ylphenoxy)-N-[8-[[2-(2-propan-2-ylphenoxy)acetyl]amino]octyl]acetamide.

Molecular Properties

Compound Name2-(2-propan-2-ylphenoxy)-N-[8-[[2-(2-propan-2-ylphenoxy)acetyl]amino]octyl]acetamide
PubChem CID17233327
Molecular FormulaC30H44N2O4
Molecular Weight496.69 g/mol
Exact Mass496.33
IUPAC Name2-(2-propan-2-ylphenoxy)-N-[8-[[2-(2-propan-2-ylphenoxy)acetyl]amino]octyl]acetamide
SMILESCC(C)c1ccccc1OCC(=O)NCCCCCCCCNC(=O)COc1ccccc1C(C)C
InChIInChI=1S/C30H44N2O4/c1-23(2)25-15-9-11-17-27(25)35-21-29(33)31-19-13-7-5-6-8-14-20-32-30(34)22-36-28-18-12-10-16-26(28)24(3)4/h9-12,15-18,23-24H,5-8,13-14,19-22H2,1-4H3,(H,31,33)(H,32,34)
InChIKeyZJOHKHPCTLRDGV-UHFFFAOYSA-N
XLogP5.96
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds17
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500496.69
LogP ≤ 55.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(6-hydroxyhexyl)-2-(2-propan-2-ylphenoxy)acetamide
CID 103919361
2-hydroxy-4-[[2-(2-propan-2-ylphenoxy)acetyl]amino]butanoic acid
CID 107832254
N-[2-(3-chlorophenyl)ethyl]-2-(2-propan-2-ylphenoxy)acetamide
CID 39731176
N-(pentylcarbamothioyl)-2-(2-propan-2-ylphenoxy)acetamide
CID 19188192
1-N',5-N'-bis[2-(2-propan-2-ylphenoxy)acetyl]pentanedihydrazide
CID 3554714
N-propan-2-yl-2-(2-propan-2-ylphenoxy)acetamide
CID 19168088
N-(2-chloroprop-2-enyl)-2-(2-propan-2-ylphenoxy)acetamide
CID 113238561
N-(butylcarbamothioyl)-2-(2-propan-2-ylphenoxy)acetamide
CID 19188311
N-[2-(1H-benzimidazol-2-yl)ethyl]-2-(2-propan-2-ylphenoxy)acetamide
CID 707834
2-[2-(1-hydroxyethyl)phenoxy]-N-propylacetamide
CID 43503995
N-(2-hydroxy-4-methylpentyl)-2-(2-propan-2-ylphenoxy)acetamide
CID 103771540
N-[2-(3-methoxyphenyl)ethyl]-2-(2-propan-2-ylphenoxy)acetamide
CID 112977430

Frequently Asked Questions

What is the IUPAC name of 2-(2-propan-2-ylphenoxy)-N-[8-[[2-(2-propan-2-ylphenoxy)acetyl]amino]octyl]acetamide?
The IUPAC name of 2-(2-propan-2-ylphenoxy)-N-[8-[[2-(2-propan-2-ylphenoxy)acetyl]amino]octyl]acetamide (CID 17233327) is 2-(2-propan-2-ylphenoxy)-N-[8-[[2-(2-propan-2-ylphenoxy)acetyl]amino]octyl]acetamide.
What is the SMILES notation for 2-(2-propan-2-ylphenoxy)-N-[8-[[2-(2-propan-2-ylphenoxy)acetyl]amino]octyl]acetamide?
The canonical SMILES for 2-(2-propan-2-ylphenoxy)-N-[8-[[2-(2-propan-2-ylphenoxy)acetyl]amino]octyl]acetamide is CC(C)c1ccccc1OCC(=O)NCCCCCCCCNC(=O)COc1ccccc1C(C)C.
What is the InChIKey of 2-(2-propan-2-ylphenoxy)-N-[8-[[2-(2-propan-2-ylphenoxy)acetyl]amino]octyl]acetamide?
The InChIKey is ZJOHKHPCTLRDGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H44N2O4/c1-23(2)25-15-9-11-17-27(25)35-21-29(33)31-19-13-7-5-6-8-14-20-32-30(34)22-36-28-18-12-10-16-26(28)24(3)4/h9-12,15-18,23-24H,5-8,13-14,19-22H2,1-4H3,(H,31,33)(H,32,34).
What are the key properties of 2-(2-propan-2-ylphenoxy)-N-[8-[[2-(2-propan-2-ylphenoxy)acetyl]amino]octyl]acetamide?
2-(2-propan-2-ylphenoxy)-N-[8-[[2-(2-propan-2-ylphenoxy)acetyl]amino]octyl]acetamide has a molecular weight of 496.69 g/mol, XLogP of 5.96, 17 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-propan-2-ylphenoxy)-N-[8-[[2-(2-propan-2-ylphenoxy)acetyl]amino]octyl]acetamide is sourced from PubChem (CID 17233327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).