3-[2-[4-(4-fluoro-2-methylphenyl)cyclohexyl]ethylamino]oxolane-3-carboxamide

C20H29FN2O2 — CID 163546059

IUPAC3-[2-[4-(4-fluoro-2-methylphenyl)cyclohexyl]ethylamino]oxolane-3-carboxamide
SMILESCc1cc(F)ccc1C1CCC(CCNC2(C(N)=O)CCOC2)CC1
InChIInChI=1S/C20H29FN2O2/c1-14-12-17(21)6-7-18(14)16-4-2-15(3-5-16)8-10-23-20(19(22)24)9-11-25-13-20/h6-7,12,15-16,23H,2-5,8-11,13H2,1H3,(H2,22,24)
InChIKeyFFCPYMBBDWNRTL-UHFFFAOYSA-N
MW348.46 g/mol
LogP3.03
Rot. Bonds6

About 3-[2-[4-(4-fluoro-2-methylphenyl)cyclohexyl]ethylamino]oxolane-3-carboxamide

3-[2-[4-(4-fluoro-2-methylphenyl)cyclohexyl]ethylamino]oxolane-3-carboxamide (PubChem CID 163546059) has the molecular formula C20H29FN2O2 and a molecular weight of 348.46 g/mol. Its IUPAC name is 3-[2-[4-(4-fluoro-2-methylphenyl)cyclohexyl]ethylamino]oxolane-3-carboxamide.

Molecular Properties

Compound Name3-[2-[4-(4-fluoro-2-methylphenyl)cyclohexyl]ethylamino]oxolane-3-carboxamide
PubChem CID163546059
Molecular FormulaC20H29FN2O2
Molecular Weight348.46 g/mol
Exact Mass348.22
IUPAC Name3-[2-[4-(4-fluoro-2-methylphenyl)cyclohexyl]ethylamino]oxolane-3-carboxamide
SMILESCc1cc(F)ccc1C1CCC(CCNC2(C(N)=O)CCOC2)CC1
InChIInChI=1S/C20H29FN2O2/c1-14-12-17(21)6-7-18(14)16-4-2-15(3-5-16)8-10-23-20(19(22)24)9-11-25-13-20/h6-7,12,15-16,23H,2-5,8-11,13H2,1H3,(H2,22,24)
InChIKeyFFCPYMBBDWNRTL-UHFFFAOYSA-N
XLogP3.03
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.46
LogP ≤ 53.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[2-[4-(2-chloro-4-fluorophenyl)cyclohexyl]ethylamino]cyclopentane-1-carboxamide
CID 155757718
N-[2-[4-(2,4-difluorophenyl)cyclohexyl]ethyl]-1-methylcyclopentan-1-amine
CID 153338455
3-(4-fluoroanilino)oxolane-3-carboxamide
CID 63335238
1-(4,4-dimethylcyclohexyl)-4-fluoro-2-methylbenzene
CID 177192416
6-(4-fluoro-2-methylphenyl)spiro[2.5]octane
CID 177193313
2-[2-[4-(4-fluoro-2-methylphenyl)cyclohexyl]ethyl]-1-methylpiperidin-4-amine
CID 175124416
2,4-difluoro-1-(4-propylcyclohexyl)benzene
CID 20677019
3-(2-methylpropylamino)oxolane-3-carboxamide
CID 63335455
N-[(3S)-3-carbamoyloxolan-3-yl]-6-fluoro-1-benzofuran-3-carboxamide
CID 164630453
N-[2-[4-(2-methylphenyl)cyclohexyl]ethyl]oxan-4-amine
CID 163745529
4-fluoro-N-[(4-hydroxyoxan-4-yl)methyl]-2-methylbenzamide
CID 112702691
2-amino-N-(4-fluoro-2-methylphenyl)-2-(oxan-4-yl)acetamide
CID 120783512

Frequently Asked Questions

What is the IUPAC name of 3-[2-[4-(4-fluoro-2-methylphenyl)cyclohexyl]ethylamino]oxolane-3-carboxamide?
The IUPAC name of 3-[2-[4-(4-fluoro-2-methylphenyl)cyclohexyl]ethylamino]oxolane-3-carboxamide (CID 163546059) is 3-[2-[4-(4-fluoro-2-methylphenyl)cyclohexyl]ethylamino]oxolane-3-carboxamide.
What is the SMILES notation for 3-[2-[4-(4-fluoro-2-methylphenyl)cyclohexyl]ethylamino]oxolane-3-carboxamide?
The canonical SMILES for 3-[2-[4-(4-fluoro-2-methylphenyl)cyclohexyl]ethylamino]oxolane-3-carboxamide is Cc1cc(F)ccc1C1CCC(CCNC2(C(N)=O)CCOC2)CC1.
What is the InChIKey of 3-[2-[4-(4-fluoro-2-methylphenyl)cyclohexyl]ethylamino]oxolane-3-carboxamide?
The InChIKey is FFCPYMBBDWNRTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H29FN2O2/c1-14-12-17(21)6-7-18(14)16-4-2-15(3-5-16)8-10-23-20(19(22)24)9-11-25-13-20/h6-7,12,15-16,23H,2-5,8-11,13H2,1H3,(H2,22,24).
What are the key properties of 3-[2-[4-(4-fluoro-2-methylphenyl)cyclohexyl]ethylamino]oxolane-3-carboxamide?
3-[2-[4-(4-fluoro-2-methylphenyl)cyclohexyl]ethylamino]oxolane-3-carboxamide has a molecular weight of 348.46 g/mol, XLogP of 3.03, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[4-(4-fluoro-2-methylphenyl)cyclohexyl]ethylamino]oxolane-3-carboxamide is sourced from PubChem (CID 163546059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).