N-[3-(2,2-dimethyloxan-4-yl)-3-(4-fluorophenyl)propyl]-2-methyloxolane-2-carboxamide

C22H32FNO3 — CID 46954592

IUPACN-[3-(2,2-dimethyloxan-4-yl)-3-(4-fluorophenyl)propyl]-2-methyloxolane-2-carboxamide
SMILESCC1(C)CC(C(CCNC(=O)C2(C)CCCO2)c2ccc(F)cc2)CCO1
InChIInChI=1S/C22H32FNO3/c1-21(2)15-17(10-14-26-21)19(16-5-7-18(23)8-6-16)9-12-24-20(25)22(3)11-4-13-27-22/h5-8,17,19H,4,9-15H2,1-3H3,(H,24,25)
InChIKeyIDOIPAWMUBQQKH-UHFFFAOYSA-N
MW377.50 g/mol
LogP4.19
Rot. Bonds6

About N-[3-(2,2-dimethyloxan-4-yl)-3-(4-fluorophenyl)propyl]-2-methyloxolane-2-carboxamide

N-[3-(2,2-dimethyloxan-4-yl)-3-(4-fluorophenyl)propyl]-2-methyloxolane-2-carboxamide (PubChem CID 46954592) has the molecular formula C22H32FNO3 and a molecular weight of 377.50 g/mol. Its IUPAC name is N-[3-(2,2-dimethyloxan-4-yl)-3-(4-fluorophenyl)propyl]-2-methyloxolane-2-carboxamide.

Molecular Properties

Compound NameN-[3-(2,2-dimethyloxan-4-yl)-3-(4-fluorophenyl)propyl]-2-methyloxolane-2-carboxamide
PubChem CID46954592
Molecular FormulaC22H32FNO3
Molecular Weight377.50 g/mol
Exact Mass377.24
IUPAC NameN-[3-(2,2-dimethyloxan-4-yl)-3-(4-fluorophenyl)propyl]-2-methyloxolane-2-carboxamide
SMILESCC1(C)CC(C(CCNC(=O)C2(C)CCCO2)c2ccc(F)cc2)CCO1
InChIInChI=1S/C22H32FNO3/c1-21(2)15-17(10-14-26-21)19(16-5-7-18(23)8-6-16)9-12-24-20(25)22(3)11-4-13-27-22/h5-8,17,19H,4,9-15H2,1-3H3,(H,24,25)
InChIKeyIDOIPAWMUBQQKH-UHFFFAOYSA-N
XLogP4.19
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.50
LogP ≤ 54.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[3-(2,2-dimethyloxan-4-yl)-3-(4-fluorophenyl)propyl]-2-methyloxolane-2-carboxamide?
The IUPAC name of N-[3-(2,2-dimethyloxan-4-yl)-3-(4-fluorophenyl)propyl]-2-methyloxolane-2-carboxamide (CID 46954592) is N-[3-(2,2-dimethyloxan-4-yl)-3-(4-fluorophenyl)propyl]-2-methyloxolane-2-carboxamide.
What is the SMILES notation for N-[3-(2,2-dimethyloxan-4-yl)-3-(4-fluorophenyl)propyl]-2-methyloxolane-2-carboxamide?
The canonical SMILES for N-[3-(2,2-dimethyloxan-4-yl)-3-(4-fluorophenyl)propyl]-2-methyloxolane-2-carboxamide is CC1(C)CC(C(CCNC(=O)C2(C)CCCO2)c2ccc(F)cc2)CCO1.
What is the InChIKey of N-[3-(2,2-dimethyloxan-4-yl)-3-(4-fluorophenyl)propyl]-2-methyloxolane-2-carboxamide?
The InChIKey is IDOIPAWMUBQQKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H32FNO3/c1-21(2)15-17(10-14-26-21)19(16-5-7-18(23)8-6-16)9-12-24-20(25)22(3)11-4-13-27-22/h5-8,17,19H,4,9-15H2,1-3H3,(H,24,25).
What are the key properties of N-[3-(2,2-dimethyloxan-4-yl)-3-(4-fluorophenyl)propyl]-2-methyloxolane-2-carboxamide?
N-[3-(2,2-dimethyloxan-4-yl)-3-(4-fluorophenyl)propyl]-2-methyloxolane-2-carboxamide has a molecular weight of 377.50 g/mol, XLogP of 4.19, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(2,2-dimethyloxan-4-yl)-3-(4-fluorophenyl)propyl]-2-methyloxolane-2-carboxamide is sourced from PubChem (CID 46954592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).