N-[(4S)-4-(1,3-dioxolan-2-yl)-4-methylheptyl]-2-(2-fluorophenoxy)acetamide

C19H28FNO4 — CID 95784551

IUPACN-[(4S)-4-(1,3-dioxolan-2-yl)-4-methylheptyl]-2-(2-fluorophenoxy)acetamide
SMILESCCC[C@@](C)(CCCNC(=O)COc1ccccc1F)C1OCCO1
InChIInChI=1S/C19H28FNO4/c1-3-9-19(2,18-23-12-13-24-18)10-6-11-21-17(22)14-25-16-8-5-4-7-15(16)20/h4-5,7-8,18H,3,6,9-14H2,1-2H3,(H,21,22)/t19-/m0/s1
InChIKeyLVPJKRMKGAATEO-IBGZPJMESA-N
MW353.43 g/mol
LogP3.28
Rot. Bonds10

About N-[(4S)-4-(1,3-dioxolan-2-yl)-4-methylheptyl]-2-(2-fluorophenoxy)acetamide

N-[(4S)-4-(1,3-dioxolan-2-yl)-4-methylheptyl]-2-(2-fluorophenoxy)acetamide (PubChem CID 95784551) has the molecular formula C19H28FNO4 and a molecular weight of 353.43 g/mol. Its IUPAC name is N-[(4S)-4-(1,3-dioxolan-2-yl)-4-methylheptyl]-2-(2-fluorophenoxy)acetamide.

Molecular Properties

Compound NameN-[(4S)-4-(1,3-dioxolan-2-yl)-4-methylheptyl]-2-(2-fluorophenoxy)acetamide
PubChem CID95784551
Molecular FormulaC19H28FNO4
Molecular Weight353.43 g/mol
Exact Mass353.20
IUPAC NameN-[(4S)-4-(1,3-dioxolan-2-yl)-4-methylheptyl]-2-(2-fluorophenoxy)acetamide
SMILESCCC[C@@](C)(CCCNC(=O)COc1ccccc1F)C1OCCO1
InChIInChI=1S/C19H28FNO4/c1-3-9-19(2,18-23-12-13-24-18)10-6-11-21-17(22)14-25-16-8-5-4-7-15(16)20/h4-5,7-8,18H,3,6,9-14H2,1-2H3,(H,21,22)/t19-/m0/s1
InChIKeyLVPJKRMKGAATEO-IBGZPJMESA-N
XLogP3.28
TPSA56.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.43
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-[[2-(2-fluorophenoxy)acetyl]amino]propyl-dimethylazanium
CID 2330207
N-butyl-2-(2-tert-butylphenoxy)acetamide
CID 7676560
2-(2-fluorophenoxy)-N-[3-(methanesulfonamido)propyl]acetamide
CID 38419839
2-(2-ethoxyphenoxy)-N-[2-(2-fluorophenoxy)ethyl]acetamide
CID 8961012
2-(2-fluorophenoxy)-N-(3-pyrrol-1-ylpropyl)acetamide
CID 90500606
2-(2-fluorophenoxy)-N-(3-piperazin-1-ylpropyl)acetamide;hydrochloride
CID 119392768
2-(2-fluorophenoxy)-N-(2-hydroxy-3-methoxy-2-methylpropyl)acetamide
CID 90500952
2-(2-fluorophenoxy)-N-[2-(4-fluorophenyl)ethyl]acetamide
CID 7700300
N-[2-(2-fluorophenoxy)ethyl]-2-(2-methylphenoxy)acetamide
CID 18113601
2-(2-fluorophenoxy)-N-[3-(4-fluorophenyl)sulfanylpropyl]acetamide
CID 112793555
methyl 4-[2-[[2-(2-fluorophenoxy)acetyl]amino]ethyl]benzoate
CID 36775654
N-[3-(3,4-dimethoxyphenyl)propyl]-2-(2-fluorophenoxy)acetamide
CID 48586236

Frequently Asked Questions

What is the IUPAC name of N-[(4S)-4-(1,3-dioxolan-2-yl)-4-methylheptyl]-2-(2-fluorophenoxy)acetamide?
The IUPAC name of N-[(4S)-4-(1,3-dioxolan-2-yl)-4-methylheptyl]-2-(2-fluorophenoxy)acetamide (CID 95784551) is N-[(4S)-4-(1,3-dioxolan-2-yl)-4-methylheptyl]-2-(2-fluorophenoxy)acetamide.
What is the SMILES notation for N-[(4S)-4-(1,3-dioxolan-2-yl)-4-methylheptyl]-2-(2-fluorophenoxy)acetamide?
The canonical SMILES for N-[(4S)-4-(1,3-dioxolan-2-yl)-4-methylheptyl]-2-(2-fluorophenoxy)acetamide is CCC[C@@](C)(CCCNC(=O)COc1ccccc1F)C1OCCO1.
What is the InChIKey of N-[(4S)-4-(1,3-dioxolan-2-yl)-4-methylheptyl]-2-(2-fluorophenoxy)acetamide?
The InChIKey is LVPJKRMKGAATEO-IBGZPJMESA-N. The full InChI is InChI=1S/C19H28FNO4/c1-3-9-19(2,18-23-12-13-24-18)10-6-11-21-17(22)14-25-16-8-5-4-7-15(16)20/h4-5,7-8,18H,3,6,9-14H2,1-2H3,(H,21,22)/t19-/m0/s1.
What are the key properties of N-[(4S)-4-(1,3-dioxolan-2-yl)-4-methylheptyl]-2-(2-fluorophenoxy)acetamide?
N-[(4S)-4-(1,3-dioxolan-2-yl)-4-methylheptyl]-2-(2-fluorophenoxy)acetamide has a molecular weight of 353.43 g/mol, XLogP of 3.28, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4S)-4-(1,3-dioxolan-2-yl)-4-methylheptyl]-2-(2-fluorophenoxy)acetamide is sourced from PubChem (CID 95784551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).