(2R)-N-(2-ethoxyphenyl)-2-[4-(6-fluoroquinolin-4-yl)cyclohexyl]propanamide

C26H29FN2O2 — CID 121333278

IUPAC(2R)-N-(2-ethoxyphenyl)-2-[4-(6-fluoroquinolin-4-yl)cyclohexyl]propanamide
SMILESCCOc1ccccc1NC(=O)[C@H](C)C1CCC(c2ccnc3ccc(F)cc23)CC1
InChIInChI=1S/C26H29FN2O2/c1-3-31-25-7-5-4-6-24(25)29-26(30)17(2)18-8-10-19(11-9-18)21-14-15-28-23-13-12-20(27)16-22(21)23/h4-7,12-19H,3,8-11H2,1-2H3,(H,29,30)/t17-,18?,19?/m1/s1
InChIKeyPAXYITBZKHGYEU-LMDPOFIKSA-N
MW420.53 g/mol
LogP6.32
Rot. Bonds6

About (2R)-N-(2-ethoxyphenyl)-2-[4-(6-fluoroquinolin-4-yl)cyclohexyl]propanamide

(2R)-N-(2-ethoxyphenyl)-2-[4-(6-fluoroquinolin-4-yl)cyclohexyl]propanamide (PubChem CID 121333278) has the molecular formula C26H29FN2O2 and a molecular weight of 420.53 g/mol. Its IUPAC name is (2R)-N-(2-ethoxyphenyl)-2-[4-(6-fluoroquinolin-4-yl)cyclohexyl]propanamide.

Molecular Properties

Compound Name(2R)-N-(2-ethoxyphenyl)-2-[4-(6-fluoroquinolin-4-yl)cyclohexyl]propanamide
PubChem CID121333278
Molecular FormulaC26H29FN2O2
Molecular Weight420.53 g/mol
Exact Mass420.22
IUPAC Name(2R)-N-(2-ethoxyphenyl)-2-[4-(6-fluoroquinolin-4-yl)cyclohexyl]propanamide
SMILESCCOc1ccccc1NC(=O)[C@H](C)C1CCC(c2ccnc3ccc(F)cc23)CC1
InChIInChI=1S/C26H29FN2O2/c1-3-31-25-7-5-4-6-24(25)29-26(30)17(2)18-8-10-19(11-9-18)21-14-15-28-23-13-12-20(27)16-22(21)23/h4-7,12-19H,3,8-11H2,1-2H3,(H,29,30)/t17-,18?,19?/m1/s1
InChIKeyPAXYITBZKHGYEU-LMDPOFIKSA-N
XLogP6.32
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500420.53
LogP ≤ 56.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-amino-4,5-difluorophenyl)-2-[4-(6-fluoroquinolin-4-yl)cyclohexyl]propanamide
CID 154634623
2-[4-(6-fluoroquinolin-4-yl)cyclohexyl]-N-(3-methylphenyl)propanamide
CID 121333237
5-chloro-2-[2-[4-(6-fluoroquinolin-4-yl)cyclohexyl]propanoylamino]benzamide
CID 166746623
(2R)-2-[4-(6-fluoroquinolin-4-yl)cyclohexyl]-N-[(4-phenylphenyl)methyl]propanamide
CID 138608756
(2R)-N-(4-chlorophenyl)-2-[4-(6-fluoroquinolin-4-yl)cyclohexyl]propanamide;ethane-1,2-disulfonic acid
CID 175788062
N-[(1R)-1-[4-(6-fluoroquinolin-4-yl)cyclohexyl]ethyl]-2-phenylpropanamide
CID 138595573
N-[1-[4-(6-fluoroquinolin-4-yl)cyclohexyl]ethyl]cyclopropanecarboxamide
CID 142556941
ethyl 2-[4-(6-methylquinolin-4-yl)cyclohexyl]propanoate
CID 134203331
ethyl 3-cyano-2-[4-(6-fluoroquinolin-4-yl)cyclohexyl]propanoate
CID 142471221
ethane;2-fluoro-2-[4-(6-fluoroquinolin-4-yl)cyclohexyl]acetic acid
CID 142561439
ethane;ethyl 2-[4-(6-methylquinolin-4-yl)cyclohexyl]propanoate
CID 145448638
(4-methylphenyl) (3S)-3-[4-(6-fluoroquinolin-4-yl)cyclohexyl]butanoate
CID 146788588

Frequently Asked Questions

What is the IUPAC name of (2R)-N-(2-ethoxyphenyl)-2-[4-(6-fluoroquinolin-4-yl)cyclohexyl]propanamide?
The IUPAC name of (2R)-N-(2-ethoxyphenyl)-2-[4-(6-fluoroquinolin-4-yl)cyclohexyl]propanamide (CID 121333278) is (2R)-N-(2-ethoxyphenyl)-2-[4-(6-fluoroquinolin-4-yl)cyclohexyl]propanamide.
What is the SMILES notation for (2R)-N-(2-ethoxyphenyl)-2-[4-(6-fluoroquinolin-4-yl)cyclohexyl]propanamide?
The canonical SMILES for (2R)-N-(2-ethoxyphenyl)-2-[4-(6-fluoroquinolin-4-yl)cyclohexyl]propanamide is CCOc1ccccc1NC(=O)[C@H](C)C1CCC(c2ccnc3ccc(F)cc23)CC1.
What is the InChIKey of (2R)-N-(2-ethoxyphenyl)-2-[4-(6-fluoroquinolin-4-yl)cyclohexyl]propanamide?
The InChIKey is PAXYITBZKHGYEU-LMDPOFIKSA-N. The full InChI is InChI=1S/C26H29FN2O2/c1-3-31-25-7-5-4-6-24(25)29-26(30)17(2)18-8-10-19(11-9-18)21-14-15-28-23-13-12-20(27)16-22(21)23/h4-7,12-19H,3,8-11H2,1-2H3,(H,29,30)/t17-,18?,19?/m1/s1.
What are the key properties of (2R)-N-(2-ethoxyphenyl)-2-[4-(6-fluoroquinolin-4-yl)cyclohexyl]propanamide?
(2R)-N-(2-ethoxyphenyl)-2-[4-(6-fluoroquinolin-4-yl)cyclohexyl]propanamide has a molecular weight of 420.53 g/mol, XLogP of 6.32, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-(2-ethoxyphenyl)-2-[4-(6-fluoroquinolin-4-yl)cyclohexyl]propanamide is sourced from PubChem (CID 121333278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).