2-(4-nonylphenoxy)acetamide

C17H27NO2 — CID 54388059

IUPAC2-(4-nonylphenoxy)acetamide
SMILESCCCCCCCCCc1ccc(OCC(N)=O)cc1
InChIInChI=1S/C17H27NO2/c1-2-3-4-5-6-7-8-9-15-10-12-16(13-11-15)20-14-17(18)19/h10-13H,2-9,14H2,1H3,(H2,18,19)
InChIKeyNSKRQSDCCGJUJQ-UHFFFAOYSA-N
MW277.41 g/mol
LogP3.84
Rot. Bonds11

About 2-(4-nonylphenoxy)acetamide

2-(4-nonylphenoxy)acetamide (PubChem CID 54388059) has the molecular formula C17H27NO2 and a molecular weight of 277.41 g/mol. Its IUPAC name is 2-(4-nonylphenoxy)acetamide.

Molecular Properties

Compound Name2-(4-nonylphenoxy)acetamide
PubChem CID54388059
Molecular FormulaC17H27NO2
Molecular Weight277.41 g/mol
Exact Mass277.20
IUPAC Name2-(4-nonylphenoxy)acetamide
SMILESCCCCCCCCCc1ccc(OCC(N)=O)cc1
InChIInChI=1S/C17H27NO2/c1-2-3-4-5-6-7-8-9-15-10-12-16(13-11-15)20-14-17(18)19/h10-13H,2-9,14H2,1H3,(H2,18,19)
InChIKeyNSKRQSDCCGJUJQ-UHFFFAOYSA-N
XLogP3.84
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.41
LogP ≤ 53.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-(4-octylphenoxy)acetic acid
CID 27145
2-(4-hexylphenoxy)acetyl chloride
CID 86712364
2-(4-butoxyphenoxy)acetamide
CID 22974475
1-hexoxy-4-pentylbenzene
CID 54277450
2-[4-[(4-hexylphenyl)diazenyl]phenoxy]acetyl chloride
CID 22501487
2-[2-(4-pentylphenoxy)ethylamino]acetamide
CID 58097092
2-[4-[2-[(N-butyl-N'-methylcarbamimidoyl)amino]ethyl]phenoxy]acetamide
CID 111150322
2-(4-octylphenoxy)ethyl 2,2,2-tribromoacetate
CID 58711530
4-(4-nonylphenoxy)butanoate
CID 22965467
7-(4-hexylphenoxy)heptanoic acid
CID 54502336
(4-decylphenyl) acetate
CID 57064765
[2-(4-nonoxyphenyl)-2-oxoethyl] 4-heptylbenzoate
CID 3104651

Frequently Asked Questions

What is the IUPAC name of 2-(4-nonylphenoxy)acetamide?
The IUPAC name of 2-(4-nonylphenoxy)acetamide (CID 54388059) is 2-(4-nonylphenoxy)acetamide.
What is the SMILES notation for 2-(4-nonylphenoxy)acetamide?
The canonical SMILES for 2-(4-nonylphenoxy)acetamide is CCCCCCCCCc1ccc(OCC(N)=O)cc1.
What is the InChIKey of 2-(4-nonylphenoxy)acetamide?
The InChIKey is NSKRQSDCCGJUJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27NO2/c1-2-3-4-5-6-7-8-9-15-10-12-16(13-11-15)20-14-17(18)19/h10-13H,2-9,14H2,1H3,(H2,18,19).
What are the key properties of 2-(4-nonylphenoxy)acetamide?
2-(4-nonylphenoxy)acetamide has a molecular weight of 277.41 g/mol, XLogP of 3.84, 11 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-nonylphenoxy)acetamide is sourced from PubChem (CID 54388059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).