N-(2-butylphenyl)-2-fluoro-N-[(2-propyl-1,3-dioxolan-4-yl)methyl]hexanamide

C23H36FNO3 — CID 21447789

IUPACN-(2-butylphenyl)-2-fluoro-N-[(2-propyl-1,3-dioxolan-4-yl)methyl]hexanamide
SMILESCCCCc1ccccc1N(CC1COC(CCC)O1)C(=O)C(F)CCCC
InChIInChI=1S/C23H36FNO3/c1-4-7-12-18-13-9-10-15-21(18)25(23(26)20(24)14-8-5-2)16-19-17-27-22(28-19)11-6-3/h9-10,13,15,19-20,22H,4-8,11-12,14,16-17H2,1-3H3
InChIKeyRVOBDHOOQNSWNP-UHFFFAOYSA-N
MW393.54 g/mol
LogP5.43
Rot. Bonds12

About N-(2-butylphenyl)-2-fluoro-N-[(2-propyl-1,3-dioxolan-4-yl)methyl]hexanamide

N-(2-butylphenyl)-2-fluoro-N-[(2-propyl-1,3-dioxolan-4-yl)methyl]hexanamide (PubChem CID 21447789) has the molecular formula C23H36FNO3 and a molecular weight of 393.54 g/mol. Its IUPAC name is N-(2-butylphenyl)-2-fluoro-N-[(2-propyl-1,3-dioxolan-4-yl)methyl]hexanamide.

Molecular Properties

Compound NameN-(2-butylphenyl)-2-fluoro-N-[(2-propyl-1,3-dioxolan-4-yl)methyl]hexanamide
PubChem CID21447789
Molecular FormulaC23H36FNO3
Molecular Weight393.54 g/mol
Exact Mass393.27
IUPAC NameN-(2-butylphenyl)-2-fluoro-N-[(2-propyl-1,3-dioxolan-4-yl)methyl]hexanamide
SMILESCCCCc1ccccc1N(CC1COC(CCC)O1)C(=O)C(F)CCCC
InChIInChI=1S/C23H36FNO3/c1-4-7-12-18-13-9-10-15-21(18)25(23(26)20(24)14-8-5-2)16-19-17-27-22(28-19)11-6-3/h9-10,13,15,19-20,22H,4-8,11-12,14,16-17H2,1-3H3
InChIKeyRVOBDHOOQNSWNP-UHFFFAOYSA-N
XLogP5.43
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 ≤ 55.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(2-butylphenyl)-2-fluoro-N-[(2-propyl-1,3-dioxolan-4-yl)methyl]hexanamide?
The IUPAC name of N-(2-butylphenyl)-2-fluoro-N-[(2-propyl-1,3-dioxolan-4-yl)methyl]hexanamide (CID 21447789) is N-(2-butylphenyl)-2-fluoro-N-[(2-propyl-1,3-dioxolan-4-yl)methyl]hexanamide.
What is the SMILES notation for N-(2-butylphenyl)-2-fluoro-N-[(2-propyl-1,3-dioxolan-4-yl)methyl]hexanamide?
The canonical SMILES for N-(2-butylphenyl)-2-fluoro-N-[(2-propyl-1,3-dioxolan-4-yl)methyl]hexanamide is CCCCc1ccccc1N(CC1COC(CCC)O1)C(=O)C(F)CCCC.
What is the InChIKey of N-(2-butylphenyl)-2-fluoro-N-[(2-propyl-1,3-dioxolan-4-yl)methyl]hexanamide?
The InChIKey is RVOBDHOOQNSWNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H36FNO3/c1-4-7-12-18-13-9-10-15-21(18)25(23(26)20(24)14-8-5-2)16-19-17-27-22(28-19)11-6-3/h9-10,13,15,19-20,22H,4-8,11-12,14,16-17H2,1-3H3.
What are the key properties of N-(2-butylphenyl)-2-fluoro-N-[(2-propyl-1,3-dioxolan-4-yl)methyl]hexanamide?
N-(2-butylphenyl)-2-fluoro-N-[(2-propyl-1,3-dioxolan-4-yl)methyl]hexanamide has a molecular weight of 393.54 g/mol, XLogP of 5.43, 12 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-butylphenyl)-2-fluoro-N-[(2-propyl-1,3-dioxolan-4-yl)methyl]hexanamide is sourced from PubChem (CID 21447789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).