(1S)-N-[[4-(4-fluorophenyl)oxan-4-yl]methyl]cyclohex-3-ene-1-carboxamide

C19H24FNO2 — CID 94614538

IUPAC(1S)-N-[[4-(4-fluorophenyl)oxan-4-yl]methyl]cyclohex-3-ene-1-carboxamide
SMILESO=C(NCC1(c2ccc(F)cc2)CCOCC1)[C@@H]1CC=CCC1
InChIInChI=1S/C19H24FNO2/c20-17-8-6-16(7-9-17)19(10-12-23-13-11-19)14-21-18(22)15-4-2-1-3-5-15/h1-2,6-9,15H,3-5,10-14H2,(H,21,22)/t15-/m1/s1
InChIKeyOOBNKOGIIGCOMQ-OAHLLOKOSA-N
MW317.40 g/mol
LogP3.35
Rot. Bonds4

About (1S)-N-[[4-(4-fluorophenyl)oxan-4-yl]methyl]cyclohex-3-ene-1-carboxamide

(1S)-N-[[4-(4-fluorophenyl)oxan-4-yl]methyl]cyclohex-3-ene-1-carboxamide (PubChem CID 94614538) has the molecular formula C19H24FNO2 and a molecular weight of 317.40 g/mol. Its IUPAC name is (1S)-N-[[4-(4-fluorophenyl)oxan-4-yl]methyl]cyclohex-3-ene-1-carboxamide.

Molecular Properties

Compound Name(1S)-N-[[4-(4-fluorophenyl)oxan-4-yl]methyl]cyclohex-3-ene-1-carboxamide
PubChem CID94614538
Molecular FormulaC19H24FNO2
Molecular Weight317.40 g/mol
Exact Mass317.18
IUPAC Name(1S)-N-[[4-(4-fluorophenyl)oxan-4-yl]methyl]cyclohex-3-ene-1-carboxamide
SMILESO=C(NCC1(c2ccc(F)cc2)CCOCC1)[C@@H]1CC=CCC1
InChIInChI=1S/C19H24FNO2/c20-17-8-6-16(7-9-17)19(10-12-23-13-11-19)14-21-18(22)15-4-2-1-3-5-15/h1-2,6-9,15H,3-5,10-14H2,(H,21,22)/t15-/m1/s1
InChIKeyOOBNKOGIIGCOMQ-OAHLLOKOSA-N
XLogP3.35
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.40
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

(1S)-N-[[4-(2-methylphenyl)oxan-4-yl]methyl]cyclohex-3-ene-1-carboxamide
CID 94626737
N-[[4-(4-fluorophenyl)oxan-4-yl]methyl]piperidine-3-carboxamide;hydrochloride
CID 119303720
(1R)-N-[(4-hydroxyoxan-4-yl)methyl]cyclohex-3-ene-1-carboxamide
CID 95986197
N-[[4-(4-fluorophenyl)oxan-4-yl]methyl]-2-oxoimidazolidine-4-carboxamide
CID 71877832
1-cycloheptyl-3-[[4-(4-fluorophenyl)oxan-4-yl]methyl]urea
CID 71796603
2-[[4-(4-fluorophenyl)oxan-4-yl]methylcarbamoyl]cyclopropane-1-carboxylic acid
CID 119182430
N-[[1-(4-methoxyphenyl)cyclopentyl]methyl]cyclohex-3-ene-1-carboxamide
CID 71796620
3-ethylsulfanyl-N-[[4-(4-fluorophenyl)oxan-4-yl]methyl]propanamide
CID 47070997
N-[[(3R)-3-(4-fluorophenyl)oxolan-3-yl]methyl]-1-propan-2-ylpiperidine-4-carboxamide
CID 95142210
N-[[4-(4-fluorophenyl)oxan-4-yl]methyl]benzamide
CID 27450186
N-[[1-(4-fluorophenyl)cyclobutyl]methyl]piperidine-4-carboxamide
CID 119310492
N-[[1-(4-fluorophenyl)cyclopropyl]methyl]morpholine-3-carboxamide
CID 119731196

Frequently Asked Questions

What is the IUPAC name of (1S)-N-[[4-(4-fluorophenyl)oxan-4-yl]methyl]cyclohex-3-ene-1-carboxamide?
The IUPAC name of (1S)-N-[[4-(4-fluorophenyl)oxan-4-yl]methyl]cyclohex-3-ene-1-carboxamide (CID 94614538) is (1S)-N-[[4-(4-fluorophenyl)oxan-4-yl]methyl]cyclohex-3-ene-1-carboxamide.
What is the SMILES notation for (1S)-N-[[4-(4-fluorophenyl)oxan-4-yl]methyl]cyclohex-3-ene-1-carboxamide?
The canonical SMILES for (1S)-N-[[4-(4-fluorophenyl)oxan-4-yl]methyl]cyclohex-3-ene-1-carboxamide is O=C(NCC1(c2ccc(F)cc2)CCOCC1)[C@@H]1CC=CCC1.
What is the InChIKey of (1S)-N-[[4-(4-fluorophenyl)oxan-4-yl]methyl]cyclohex-3-ene-1-carboxamide?
The InChIKey is OOBNKOGIIGCOMQ-OAHLLOKOSA-N. The full InChI is InChI=1S/C19H24FNO2/c20-17-8-6-16(7-9-17)19(10-12-23-13-11-19)14-21-18(22)15-4-2-1-3-5-15/h1-2,6-9,15H,3-5,10-14H2,(H,21,22)/t15-/m1/s1.
What are the key properties of (1S)-N-[[4-(4-fluorophenyl)oxan-4-yl]methyl]cyclohex-3-ene-1-carboxamide?
(1S)-N-[[4-(4-fluorophenyl)oxan-4-yl]methyl]cyclohex-3-ene-1-carboxamide has a molecular weight of 317.40 g/mol, XLogP of 3.35, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-N-[[4-(4-fluorophenyl)oxan-4-yl]methyl]cyclohex-3-ene-1-carboxamide is sourced from PubChem (CID 94614538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).