N-(2,6-dibutylphenyl)-2-fluoro-N-[(2-propyl-1,3-dioxolan-4-yl)methyl]acetamide

C23H36FNO3 — CID 70638482

IUPACN-(2,6-dibutylphenyl)-2-fluoro-N-[(2-propyl-1,3-dioxolan-4-yl)methyl]acetamide
SMILESCCCCc1cccc(CCCC)c1N(CC1COC(CCC)O1)C(=O)CF
InChIInChI=1S/C23H36FNO3/c1-4-7-11-18-13-9-14-19(12-8-5-2)23(18)25(21(26)15-24)16-20-17-27-22(28-20)10-6-3/h9,13-14,20,22H,4-8,10-12,15-17H2,1-3H3
InChIKeyBGQYTGVKCIWFKX-UHFFFAOYSA-N
MW393.54 g/mol
LogP5.22
Rot. Bonds12

About N-(2,6-dibutylphenyl)-2-fluoro-N-[(2-propyl-1,3-dioxolan-4-yl)methyl]acetamide

N-(2,6-dibutylphenyl)-2-fluoro-N-[(2-propyl-1,3-dioxolan-4-yl)methyl]acetamide (PubChem CID 70638482) has the molecular formula C23H36FNO3 and a molecular weight of 393.54 g/mol. Its IUPAC name is N-(2,6-dibutylphenyl)-2-fluoro-N-[(2-propyl-1,3-dioxolan-4-yl)methyl]acetamide.

Molecular Properties

Compound NameN-(2,6-dibutylphenyl)-2-fluoro-N-[(2-propyl-1,3-dioxolan-4-yl)methyl]acetamide
PubChem CID70638482
Molecular FormulaC23H36FNO3
Molecular Weight393.54 g/mol
Exact Mass393.27
IUPAC NameN-(2,6-dibutylphenyl)-2-fluoro-N-[(2-propyl-1,3-dioxolan-4-yl)methyl]acetamide
SMILESCCCCc1cccc(CCCC)c1N(CC1COC(CCC)O1)C(=O)CF
InChIInChI=1S/C23H36FNO3/c1-4-7-11-18-13-9-14-19(12-8-5-2)23(18)25(21(26)15-24)16-20-17-27-22(28-20)10-6-3/h9,13-14,20,22H,4-8,10-12,15-17H2,1-3H3
InChIKeyBGQYTGVKCIWFKX-UHFFFAOYSA-N
XLogP5.22
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds12
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500393.54
LogP ≤ 55.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(2,6-dibutylphenyl)-2-fluoro-N-[(2-propyl-1,3-dioxolan-4-yl)methyl]acetamide?
The IUPAC name of N-(2,6-dibutylphenyl)-2-fluoro-N-[(2-propyl-1,3-dioxolan-4-yl)methyl]acetamide (CID 70638482) is N-(2,6-dibutylphenyl)-2-fluoro-N-[(2-propyl-1,3-dioxolan-4-yl)methyl]acetamide.
What is the SMILES notation for N-(2,6-dibutylphenyl)-2-fluoro-N-[(2-propyl-1,3-dioxolan-4-yl)methyl]acetamide?
The canonical SMILES for N-(2,6-dibutylphenyl)-2-fluoro-N-[(2-propyl-1,3-dioxolan-4-yl)methyl]acetamide is CCCCc1cccc(CCCC)c1N(CC1COC(CCC)O1)C(=O)CF.
What is the InChIKey of N-(2,6-dibutylphenyl)-2-fluoro-N-[(2-propyl-1,3-dioxolan-4-yl)methyl]acetamide?
The InChIKey is BGQYTGVKCIWFKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H36FNO3/c1-4-7-11-18-13-9-14-19(12-8-5-2)23(18)25(21(26)15-24)16-20-17-27-22(28-20)10-6-3/h9,13-14,20,22H,4-8,10-12,15-17H2,1-3H3.
What are the key properties of N-(2,6-dibutylphenyl)-2-fluoro-N-[(2-propyl-1,3-dioxolan-4-yl)methyl]acetamide?
N-(2,6-dibutylphenyl)-2-fluoro-N-[(2-propyl-1,3-dioxolan-4-yl)methyl]acetamide has a molecular weight of 393.54 g/mol, XLogP of 5.22, 12 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,6-dibutylphenyl)-2-fluoro-N-[(2-propyl-1,3-dioxolan-4-yl)methyl]acetamide is sourced from PubChem (CID 70638482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).