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

C21H31FN2O2 — CID 155757717

IUPAC4-[2-[4-(4-fluoro-2-methylphenyl)cyclohexyl]ethylamino]oxane-4-carboxamide
SMILESCc1cc(F)ccc1C1CCC(CCNC2(C(N)=O)CCOCC2)CC1
InChIInChI=1S/C21H31FN2O2/c1-15-14-18(22)6-7-19(15)17-4-2-16(3-5-17)8-11-24-21(20(23)25)9-12-26-13-10-21/h6-7,14,16-17,24H,2-5,8-13H2,1H3,(H2,23,25)
InChIKeyQRFVONUIWCJWGC-UHFFFAOYSA-N
MW362.49 g/mol
LogP3.42
Rot. Bonds6

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

4-[2-[4-(4-fluoro-2-methylphenyl)cyclohexyl]ethylamino]oxane-4-carboxamide (PubChem CID 155757717) has the molecular formula C21H31FN2O2 and a molecular weight of 362.49 g/mol. Its IUPAC name is 4-[2-[4-(4-fluoro-2-methylphenyl)cyclohexyl]ethylamino]oxane-4-carboxamide.

Molecular Properties

Compound Name4-[2-[4-(4-fluoro-2-methylphenyl)cyclohexyl]ethylamino]oxane-4-carboxamide
PubChem CID155757717
Molecular FormulaC21H31FN2O2
Molecular Weight362.49 g/mol
Exact Mass362.24
IUPAC Name4-[2-[4-(4-fluoro-2-methylphenyl)cyclohexyl]ethylamino]oxane-4-carboxamide
SMILESCc1cc(F)ccc1C1CCC(CCNC2(C(N)=O)CCOCC2)CC1
InChIInChI=1S/C21H31FN2O2/c1-15-14-18(22)6-7-19(15)17-4-2-16(3-5-17)8-11-24-21(20(23)25)9-12-26-13-10-21/h6-7,14,16-17,24H,2-5,8-13H2,1H3,(H2,23,25)
InChIKeyQRFVONUIWCJWGC-UHFFFAOYSA-N
XLogP3.42
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.49
LogP ≤ 53.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-amino-N-[(1S)-1-cyano-2-(4-phenylphenyl)ethyl]oxane-4-carboxamide
CID 66645269
N-[2-[4-(4-fluoro-2-methylphenyl)cyclohexyl]ethyl]oxan-4-amine
CID 153338521
4-[2-[4-(2-chloro-4-fluorophenyl)cyclohexyl]ethylamino]-N-methyloxane-4-carboxamide
CID 153338612
4-[2-[4-(2,4,6-Trifluorophenyl)cyclohexyl]ethylamino]oxane-4-carboxamide
CID 152538936
4-[2-[4-(2,4-Difluoro-6-methylphenyl)cyclohexyl]ethylamino]oxane-4-carboxamide
CID 153338446
4-[2-[4-(2-Chloro-3-fluorophenyl)cyclohexyl]ethylamino]oxane-4-carboxamide
CID 153338454
4-[2-[4-(2,4-Difluorophenyl)cyclohexyl]ethylamino]oxane-4-carboxamide
CID 153338463
N-ethyl-4-[2-[4-[4-fluoro-2-(trifluoromethyl)phenyl]cyclohexyl]ethylamino]oxane-4-carboxamide
CID 153338514
4-[2-[4-[4-Fluoro-2-(trifluoromethyl)phenyl]cyclohexyl]ethylamino]oxane-4-carboxamide
CID 153338524
4-[2-[4-(2,4-difluorophenyl)cyclohexyl]ethylamino]-N-methyloxane-4-carboxamide
CID 153338533
4-[2-[4-(2-Chloro-4-fluorophenyl)cyclohexyl]ethylamino]oxane-4-carboxamide
CID 153338534
4-[2-[4-(4,5-Difluoro-2-methylphenyl)cyclohexyl]ethylamino]oxane-4-carboxamide
CID 153338564

Frequently Asked Questions

What is the IUPAC name of 4-[2-[4-(4-fluoro-2-methylphenyl)cyclohexyl]ethylamino]oxane-4-carboxamide?
The IUPAC name of 4-[2-[4-(4-fluoro-2-methylphenyl)cyclohexyl]ethylamino]oxane-4-carboxamide (CID 155757717) is 4-[2-[4-(4-fluoro-2-methylphenyl)cyclohexyl]ethylamino]oxane-4-carboxamide.
What is the SMILES notation for 4-[2-[4-(4-fluoro-2-methylphenyl)cyclohexyl]ethylamino]oxane-4-carboxamide?
The canonical SMILES for 4-[2-[4-(4-fluoro-2-methylphenyl)cyclohexyl]ethylamino]oxane-4-carboxamide is Cc1cc(F)ccc1C1CCC(CCNC2(C(N)=O)CCOCC2)CC1.
What is the InChIKey of 4-[2-[4-(4-fluoro-2-methylphenyl)cyclohexyl]ethylamino]oxane-4-carboxamide?
The InChIKey is QRFVONUIWCJWGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H31FN2O2/c1-15-14-18(22)6-7-19(15)17-4-2-16(3-5-17)8-11-24-21(20(23)25)9-12-26-13-10-21/h6-7,14,16-17,24H,2-5,8-13H2,1H3,(H2,23,25).
What are the key properties of 4-[2-[4-(4-fluoro-2-methylphenyl)cyclohexyl]ethylamino]oxane-4-carboxamide?
4-[2-[4-(4-fluoro-2-methylphenyl)cyclohexyl]ethylamino]oxane-4-carboxamide has a molecular weight of 362.49 g/mol, XLogP of 3.42, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[4-(4-fluoro-2-methylphenyl)cyclohexyl]ethylamino]oxane-4-carboxamide is sourced from PubChem (CID 155757717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).