N-(3-fluoropropyl)-3,3-dimethyl-N-[2-(oxan-2-yloxy)ethyl]butanamide

C16H30FNO3 — CID 71025454

IUPACN-(3-fluoropropyl)-3,3-dimethyl-N-[2-(oxan-2-yloxy)ethyl]butanamide
SMILESCC(C)(C)CC(=O)N(CCCF)CCOC1CCCCO1
InChIInChI=1S/C16H30FNO3/c1-16(2,3)13-14(19)18(9-6-8-17)10-12-21-15-7-4-5-11-20-15/h15H,4-13H2,1-3H3
InChIKeyJXDSHCLHSVTWRS-UHFFFAOYSA-N
MW303.42 g/mol
LogP3.15
Rot. Bonds8

About N-(3-fluoropropyl)-3,3-dimethyl-N-[2-(oxan-2-yloxy)ethyl]butanamide

N-(3-fluoropropyl)-3,3-dimethyl-N-[2-(oxan-2-yloxy)ethyl]butanamide (PubChem CID 71025454) has the molecular formula C16H30FNO3 and a molecular weight of 303.42 g/mol. Its IUPAC name is N-(3-fluoropropyl)-3,3-dimethyl-N-[2-(oxan-2-yloxy)ethyl]butanamide.

Molecular Properties

Compound NameN-(3-fluoropropyl)-3,3-dimethyl-N-[2-(oxan-2-yloxy)ethyl]butanamide
PubChem CID71025454
Molecular FormulaC16H30FNO3
Molecular Weight303.42 g/mol
Exact Mass303.22
IUPAC NameN-(3-fluoropropyl)-3,3-dimethyl-N-[2-(oxan-2-yloxy)ethyl]butanamide
SMILESCC(C)(C)CC(=O)N(CCCF)CCOC1CCCCO1
InChIInChI=1S/C16H30FNO3/c1-16(2,3)13-14(19)18(9-6-8-17)10-12-21-15-7-4-5-11-20-15/h15H,4-13H2,1-3H3
InChIKeyJXDSHCLHSVTWRS-UHFFFAOYSA-N
XLogP3.15
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.42
LogP ≤ 53.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

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N',2,2-trimethyl-N'-[2-(oxan-2-yloxy)ethyl]propane-1,3-diamine
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14-(oxan-2-yloxy)tetradecanoic acid
CID 54500619
2,2-difluoro-4-(oxan-2-yloxy)butanoic acid
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ethane;2-(oxan-2-yloxy)ethanol
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methyl 6-(oxan-2-yloxy)hexanoate
CID 10955377

Frequently Asked Questions

What is the IUPAC name of N-(3-fluoropropyl)-3,3-dimethyl-N-[2-(oxan-2-yloxy)ethyl]butanamide?
The IUPAC name of N-(3-fluoropropyl)-3,3-dimethyl-N-[2-(oxan-2-yloxy)ethyl]butanamide (CID 71025454) is N-(3-fluoropropyl)-3,3-dimethyl-N-[2-(oxan-2-yloxy)ethyl]butanamide.
What is the SMILES notation for N-(3-fluoropropyl)-3,3-dimethyl-N-[2-(oxan-2-yloxy)ethyl]butanamide?
The canonical SMILES for N-(3-fluoropropyl)-3,3-dimethyl-N-[2-(oxan-2-yloxy)ethyl]butanamide is CC(C)(C)CC(=O)N(CCCF)CCOC1CCCCO1.
What is the InChIKey of N-(3-fluoropropyl)-3,3-dimethyl-N-[2-(oxan-2-yloxy)ethyl]butanamide?
The InChIKey is JXDSHCLHSVTWRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30FNO3/c1-16(2,3)13-14(19)18(9-6-8-17)10-12-21-15-7-4-5-11-20-15/h15H,4-13H2,1-3H3.
What are the key properties of N-(3-fluoropropyl)-3,3-dimethyl-N-[2-(oxan-2-yloxy)ethyl]butanamide?
N-(3-fluoropropyl)-3,3-dimethyl-N-[2-(oxan-2-yloxy)ethyl]butanamide has a molecular weight of 303.42 g/mol, XLogP of 3.15, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-fluoropropyl)-3,3-dimethyl-N-[2-(oxan-2-yloxy)ethyl]butanamide is sourced from PubChem (CID 71025454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).