4-(2-fluorophenyl)-N-[(1S)-1-(4-morpholin-4-ylphenyl)ethyl]oxane-4-carboxamide

C24H29FN2O3 — CID 92614088

IUPAC4-(2-fluorophenyl)-N-[(1S)-1-(4-morpholin-4-ylphenyl)ethyl]oxane-4-carboxamide
SMILESC[C@H](NC(=O)C1(c2ccccc2F)CCOCC1)c1ccc(N2CCOCC2)cc1
InChIInChI=1S/C24H29FN2O3/c1-18(19-6-8-20(9-7-19)27-12-16-30-17-13-27)26-23(28)24(10-14-29-15-11-24)21-4-2-3-5-22(21)25/h2-9,18H,10-17H2,1H3,(H,26,28)/t18-/m0/s1
InChIKeyAVMIVDYUJUIZIF-SFHVURJKSA-N
MW412.51 g/mol
LogP3.59
Rot. Bonds5

About 4-(2-fluorophenyl)-N-[(1S)-1-(4-morpholin-4-ylphenyl)ethyl]oxane-4-carboxamide

4-(2-fluorophenyl)-N-[(1S)-1-(4-morpholin-4-ylphenyl)ethyl]oxane-4-carboxamide (PubChem CID 92614088) has the molecular formula C24H29FN2O3 and a molecular weight of 412.51 g/mol. Its IUPAC name is 4-(2-fluorophenyl)-N-[(1S)-1-(4-morpholin-4-ylphenyl)ethyl]oxane-4-carboxamide.

Molecular Properties

Compound Name4-(2-fluorophenyl)-N-[(1S)-1-(4-morpholin-4-ylphenyl)ethyl]oxane-4-carboxamide
PubChem CID92614088
Molecular FormulaC24H29FN2O3
Molecular Weight412.51 g/mol
Exact Mass412.22
IUPAC Name4-(2-fluorophenyl)-N-[(1S)-1-(4-morpholin-4-ylphenyl)ethyl]oxane-4-carboxamide
SMILESC[C@H](NC(=O)C1(c2ccccc2F)CCOCC1)c1ccc(N2CCOCC2)cc1
InChIInChI=1S/C24H29FN2O3/c1-18(19-6-8-20(9-7-19)27-12-16-30-17-13-27)26-23(28)24(10-14-29-15-11-24)21-4-2-3-5-22(21)25/h2-9,18H,10-17H2,1H3,(H,26,28)/t18-/m0/s1
InChIKeyAVMIVDYUJUIZIF-SFHVURJKSA-N
XLogP3.59
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.51
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

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Related Compounds

4-(3-methylphenyl)-N-[(1R)-1-(4-morpholin-4-ylphenyl)ethyl]oxane-4-carboxamide
CID 92614110
4-(4-methoxyphenyl)-N-[1-(4-morpholin-4-ylphenyl)ethyl]oxane-4-carboxamide
CID 46977488
1-(3-chlorophenyl)-N-[1-(4-morpholin-4-ylphenyl)ethyl]cyclobutane-1-carboxamide
CID 48664321
1-[(1R)-1-(4-morpholin-4-ylphenyl)ethyl]-3-phenylurea
CID 95238427
4-(4-fluorophenyl)-N-[(1S)-1-(4-fluorophenyl)ethyl]-1-[4-(4-fluorophenyl)piperazine-1-carbonyl]piperidine-4-carboxamide
CID 59527765
N-[(1S)-1-[4-(4-methylpiperidin-1-yl)phenyl]ethyl]-1-phenylcyclopentane-1-carboxamide
CID 100688576
1-(2-fluorophenyl)-N-(4-pyrrolidin-1-ylphenyl)cyclopropane-1-carboxamide
CID 110424930
(2R)-N-[(1S)-1-(4-morpholin-4-ylphenyl)ethyl]-2-phenoxypropanamide
CID 95705953
4-(2-fluorophenyl)-N-(4-propan-2-yloxyphenyl)oxane-4-carboxamide
CID 100682300
N-[(1S)-1-(3,4-dimethylphenyl)ethyl]-4-phenyloxane-4-carboxamide
CID 100771023
1-(2-fluorophenyl)-N-(2-morpholin-4-ylethyl)cyclopropane-1-carboxamide
CID 110408174
4-amino-N-[(1S)-1-(4-fluorophenyl)ethyl]oxane-4-carboxamide
CID 115295213

Frequently Asked Questions

What is the IUPAC name of 4-(2-fluorophenyl)-N-[(1S)-1-(4-morpholin-4-ylphenyl)ethyl]oxane-4-carboxamide?
The IUPAC name of 4-(2-fluorophenyl)-N-[(1S)-1-(4-morpholin-4-ylphenyl)ethyl]oxane-4-carboxamide (CID 92614088) is 4-(2-fluorophenyl)-N-[(1S)-1-(4-morpholin-4-ylphenyl)ethyl]oxane-4-carboxamide.
What is the SMILES notation for 4-(2-fluorophenyl)-N-[(1S)-1-(4-morpholin-4-ylphenyl)ethyl]oxane-4-carboxamide?
The canonical SMILES for 4-(2-fluorophenyl)-N-[(1S)-1-(4-morpholin-4-ylphenyl)ethyl]oxane-4-carboxamide is C[C@H](NC(=O)C1(c2ccccc2F)CCOCC1)c1ccc(N2CCOCC2)cc1.
What is the InChIKey of 4-(2-fluorophenyl)-N-[(1S)-1-(4-morpholin-4-ylphenyl)ethyl]oxane-4-carboxamide?
The InChIKey is AVMIVDYUJUIZIF-SFHVURJKSA-N. The full InChI is InChI=1S/C24H29FN2O3/c1-18(19-6-8-20(9-7-19)27-12-16-30-17-13-27)26-23(28)24(10-14-29-15-11-24)21-4-2-3-5-22(21)25/h2-9,18H,10-17H2,1H3,(H,26,28)/t18-/m0/s1.
What are the key properties of 4-(2-fluorophenyl)-N-[(1S)-1-(4-morpholin-4-ylphenyl)ethyl]oxane-4-carboxamide?
4-(2-fluorophenyl)-N-[(1S)-1-(4-morpholin-4-ylphenyl)ethyl]oxane-4-carboxamide has a molecular weight of 412.51 g/mol, XLogP of 3.59, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-fluorophenyl)-N-[(1S)-1-(4-morpholin-4-ylphenyl)ethyl]oxane-4-carboxamide is sourced from PubChem (CID 92614088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).