N-cyclopentyl-4-[[3-(5-fluoro-2-methoxyphenyl)phenyl]methyl]oxane-4-carboxamide

C25H30FNO3 — CID 129458761

IUPACN-cyclopentyl-4-[[3-(5-fluoro-2-methoxyphenyl)phenyl]methyl]oxane-4-carboxamide
SMILESCOc1ccc(F)cc1-c1cccc(CC2(C(=O)NC3CCCC3)CCOCC2)c1
InChIInChI=1S/C25H30FNO3/c1-29-23-10-9-20(26)16-22(23)19-6-4-5-18(15-19)17-25(11-13-30-14-12-25)24(28)27-21-7-2-3-8-21/h4-6,9-10,15-16,21H,2-3,7-8,11-14,17H2,1H3,(H,27,28)
InChIKeyVAKMXNXIWWMKHY-UHFFFAOYSA-N
MW411.52 g/mol
LogP4.90
Rot. Bonds6

About N-cyclopentyl-4-[[3-(5-fluoro-2-methoxyphenyl)phenyl]methyl]oxane-4-carboxamide

N-cyclopentyl-4-[[3-(5-fluoro-2-methoxyphenyl)phenyl]methyl]oxane-4-carboxamide (PubChem CID 129458761) has the molecular formula C25H30FNO3 and a molecular weight of 411.52 g/mol. Its IUPAC name is N-cyclopentyl-4-[[3-(5-fluoro-2-methoxyphenyl)phenyl]methyl]oxane-4-carboxamide.

Molecular Properties

Compound NameN-cyclopentyl-4-[[3-(5-fluoro-2-methoxyphenyl)phenyl]methyl]oxane-4-carboxamide
PubChem CID129458761
Molecular FormulaC25H30FNO3
Molecular Weight411.52 g/mol
Exact Mass411.22
IUPAC NameN-cyclopentyl-4-[[3-(5-fluoro-2-methoxyphenyl)phenyl]methyl]oxane-4-carboxamide
SMILESCOc1ccc(F)cc1-c1cccc(CC2(C(=O)NC3CCCC3)CCOCC2)c1
InChIInChI=1S/C25H30FNO3/c1-29-23-10-9-20(26)16-22(23)19-6-4-5-18(15-19)17-25(11-13-30-14-12-25)24(28)27-21-7-2-3-8-21/h4-6,9-10,15-16,21H,2-3,7-8,11-14,17H2,1H3,(H,27,28)
InChIKeyVAKMXNXIWWMKHY-UHFFFAOYSA-N
XLogP4.90
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.52
LogP ≤ 54.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-[[3-(5-fluoro-2-methoxyphenyl)phenyl]methyl]-N-[(3R)-oxan-3-yl]oxane-4-carboxamide
CID 129457040
N-ethyl-4-[[3-(5-fluoro-2-methoxyphenyl)phenyl]methyl]oxane-4-carboxamide
CID 110082361
N-[(2S)-butan-2-yl]-4-[[3-(5-fluoro-2-methoxyphenyl)phenyl]methyl]oxane-4-carboxamide
CID 124938836
N-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]-4-[[3-(5-fluoro-2-methoxyphenyl)phenyl]methyl]oxane-4-carboxamide
CID 129456443
N-[3-[(2S,6R)-2,6-dimethylpiperidin-1-yl]propyl]-4-[[3-(5-fluoro-2-methoxyphenyl)phenyl]methyl]oxane-4-carboxamide
CID 129457212
N-[(3R)-1,1-dioxothiolan-3-yl]-4-[[3-(2-methoxyphenyl)phenyl]methyl]oxane-4-carboxamide
CID 129459310
N-[2-(3,5-dimethylpyrazol-1-yl)ethyl]-4-[[3-(5-fluoro-2-methoxyphenyl)phenyl]methyl]oxane-4-carboxamide
CID 110075927
N-butan-2-yl-4-[[3-(2-methoxyphenyl)phenyl]methyl]oxane-4-carboxamide
CID 110082331
4-[[4-(2-methoxyphenyl)phenyl]methyl]-N-[(3S)-oxan-3-yl]oxane-4-carboxamide
CID 129458009
N-(2-methoxyethyl)-4-[[3-(2-methoxyphenyl)phenyl]methyl]oxane-4-carboxamide
CID 95805201
N-(2-acetamidoethyl)-4-[[4-(5-fluoro-2-methoxyphenyl)phenyl]methyl]oxane-4-carboxamide
CID 155983023
N-[3-(dimethylamino)propyl]-4-[[3-(2-methoxyphenyl)phenyl]methyl]oxane-4-carboxamide
CID 110087861

Frequently Asked Questions

What is the IUPAC name of N-cyclopentyl-4-[[3-(5-fluoro-2-methoxyphenyl)phenyl]methyl]oxane-4-carboxamide?
The IUPAC name of N-cyclopentyl-4-[[3-(5-fluoro-2-methoxyphenyl)phenyl]methyl]oxane-4-carboxamide (CID 129458761) is N-cyclopentyl-4-[[3-(5-fluoro-2-methoxyphenyl)phenyl]methyl]oxane-4-carboxamide.
What is the SMILES notation for N-cyclopentyl-4-[[3-(5-fluoro-2-methoxyphenyl)phenyl]methyl]oxane-4-carboxamide?
The canonical SMILES for N-cyclopentyl-4-[[3-(5-fluoro-2-methoxyphenyl)phenyl]methyl]oxane-4-carboxamide is COc1ccc(F)cc1-c1cccc(CC2(C(=O)NC3CCCC3)CCOCC2)c1.
What is the InChIKey of N-cyclopentyl-4-[[3-(5-fluoro-2-methoxyphenyl)phenyl]methyl]oxane-4-carboxamide?
The InChIKey is VAKMXNXIWWMKHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H30FNO3/c1-29-23-10-9-20(26)16-22(23)19-6-4-5-18(15-19)17-25(11-13-30-14-12-25)24(28)27-21-7-2-3-8-21/h4-6,9-10,15-16,21H,2-3,7-8,11-14,17H2,1H3,(H,27,28).
What are the key properties of N-cyclopentyl-4-[[3-(5-fluoro-2-methoxyphenyl)phenyl]methyl]oxane-4-carboxamide?
N-cyclopentyl-4-[[3-(5-fluoro-2-methoxyphenyl)phenyl]methyl]oxane-4-carboxamide has a molecular weight of 411.52 g/mol, XLogP of 4.90, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyl-4-[[3-(5-fluoro-2-methoxyphenyl)phenyl]methyl]oxane-4-carboxamide is sourced from PubChem (CID 129458761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).