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

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(3S)-N-[(3R)-3-[(4R)-2,2-dimethyloxan-4-yl]-3-phenylpropyl]-3-(4-fluorophenyl)-3-phenylpropanamide
CID 40817108
(3S)-N-[(3S)-3-[(4R)-2,2-dimethyloxan-4-yl]-3-phenylpropyl]-3-(4-fluorophenyl)-3-phenylpropanamide
CID 40817112
[(3R)-3-[(4S)-2,2-dimethyloxan-4-yl]-3-(4-fluorophenyl)propyl]azanium
CID 6934380
3-(2,2-dimethyloxan-4-yl)-3-(4-fluorophenyl)propanal
CID 88530292
(3S)-N-[(3S)-3-[(4S)-2,2-dimethyloxan-4-yl]-3-phenylpropyl]-4-methyl-3-(4-propan-2-yloxyphenyl)pentanamide
CID 163074860
(3R)-3-[(4S)-2,2-dimethyloxan-4-yl]-3-(4-methoxyphenyl)-N-[(4-methoxyphenyl)methyl]propan-1-amine
CID 7076924
(3R)-3-[(4R)-2,2-dimethyloxan-4-yl]-3-phenyl-N-[(1R)-1-phenylethyl]propan-1-amine
CID 7077870
2-[[(3S)-3-[(4S)-2,2-dimethyloxan-4-yl]-3-(4-methylphenyl)propanoyl]amino]ethyl-dimethylazanium
CID 7643533
(3R)-3-[(4S)-2,2-dimethyloxan-4-yl]-3-(4-methylphenyl)propan-1-amine
CID 751685
3-(2,2-dimethyloxan-4-yl)-3-phenylpropanoic acid
CID 649009
[(3R)-3-[(4R)-2,2-dimethyloxan-4-yl]-3-(4-methylphenyl)propyl]azanium
CID 6936972
N-[(3R)-3-[(4S)-2,2-dimethyloxan-4-yl]-3-phenylpropyl]-N',N'-dimethylethane-1,2-diamine
CID 7640934

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).