(2S)-N-[2-(cyclohexen-1-yl)ethyl]-2-(4-fluorophenoxy)butanamide

C18H24FNO2 — CID 92681312

IUPAC(2S)-N-[2-(cyclohexen-1-yl)ethyl]-2-(4-fluorophenoxy)butanamide
SMILESCC[C@H](Oc1ccc(F)cc1)C(=O)NCCC1=CCCCC1
InChIInChI=1S/C18H24FNO2/c1-2-17(22-16-10-8-15(19)9-11-16)18(21)20-13-12-14-6-4-3-5-7-14/h6,8-11,17H,2-5,7,12-13H2,1H3,(H,20,21)/t17-/m0/s1
InChIKeyLHZJSTMJVHBDGX-KRWDZBQOSA-N
MW305.39 g/mol
LogP3.99
Rot. Bonds7

About (2S)-N-[2-(cyclohexen-1-yl)ethyl]-2-(4-fluorophenoxy)butanamide

(2S)-N-[2-(cyclohexen-1-yl)ethyl]-2-(4-fluorophenoxy)butanamide (PubChem CID 92681312) has the molecular formula C18H24FNO2 and a molecular weight of 305.39 g/mol. Its IUPAC name is (2S)-N-[2-(cyclohexen-1-yl)ethyl]-2-(4-fluorophenoxy)butanamide.

Molecular Properties

Compound Name(2S)-N-[2-(cyclohexen-1-yl)ethyl]-2-(4-fluorophenoxy)butanamide
PubChem CID92681312
Molecular FormulaC18H24FNO2
Molecular Weight305.39 g/mol
Exact Mass305.18
IUPAC Name(2S)-N-[2-(cyclohexen-1-yl)ethyl]-2-(4-fluorophenoxy)butanamide
SMILESCC[C@H](Oc1ccc(F)cc1)C(=O)NCCC1=CCCCC1
InChIInChI=1S/C18H24FNO2/c1-2-17(22-16-10-8-15(19)9-11-16)18(21)20-13-12-14-6-4-3-5-7-14/h6,8-11,17H,2-5,7,12-13H2,1H3,(H,20,21)/t17-/m0/s1
InChIKeyLHZJSTMJVHBDGX-KRWDZBQOSA-N
XLogP3.99
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.39
LogP ≤ 53.99
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

(2R)-N-[2-(cyclohexen-1-yl)ethyl]-2-naphthalen-2-yloxybutanamide
CID 28566521
N-[2-(cyclohexen-1-yl)ethyl]-2-(3-methoxyphenoxy)butanamide
CID 43916356
(2R)-N-[2-(cyclohexen-1-yl)ethyl]-2-(3-methoxyphenoxy)butanamide
CID 38007399
(2R)-2-(2-chlorophenoxy)-N-[2-(cyclohexen-1-yl)ethyl]butanamide
CID 92674990
(2S)-2-(2-chlorophenoxy)-N-[2-(cyclohexen-1-yl)ethyl]butanamide
CID 92674991
2-(4-chlorophenoxy)-N-(cyclohexen-1-ylmethyl)butanamide
CID 133207915
(2S)-2-(4-fluorophenoxy)-N-[2-(4-methoxyphenyl)ethyl]butanamide
CID 92683031
2-(4-fluorophenoxy)-N-[2-(4-propan-2-ylphenyl)ethyl]butanamide
CID 46771830
(2R)-N-[2-(cyclohexen-1-yl)ethyl]-2-(4-methoxyphenoxy)propanamide
CID 925253
N-[2-(cyclohexen-1-yl)ethyl]-2-ethylbutanamide
CID 5121995
(2S)-2-(4-fluorophenoxy)-N-[3-(4-propan-2-yloxyphenyl)propyl]butanamide
CID 99951781
N-[2-(cyclohexen-1-yl)ethyl]-2-(4-phenylphenoxy)propanamide
CID 4951754

Frequently Asked Questions

What is the IUPAC name of (2S)-N-[2-(cyclohexen-1-yl)ethyl]-2-(4-fluorophenoxy)butanamide?
The IUPAC name of (2S)-N-[2-(cyclohexen-1-yl)ethyl]-2-(4-fluorophenoxy)butanamide (CID 92681312) is (2S)-N-[2-(cyclohexen-1-yl)ethyl]-2-(4-fluorophenoxy)butanamide.
What is the SMILES notation for (2S)-N-[2-(cyclohexen-1-yl)ethyl]-2-(4-fluorophenoxy)butanamide?
The canonical SMILES for (2S)-N-[2-(cyclohexen-1-yl)ethyl]-2-(4-fluorophenoxy)butanamide is CC[C@H](Oc1ccc(F)cc1)C(=O)NCCC1=CCCCC1.
What is the InChIKey of (2S)-N-[2-(cyclohexen-1-yl)ethyl]-2-(4-fluorophenoxy)butanamide?
The InChIKey is LHZJSTMJVHBDGX-KRWDZBQOSA-N. The full InChI is InChI=1S/C18H24FNO2/c1-2-17(22-16-10-8-15(19)9-11-16)18(21)20-13-12-14-6-4-3-5-7-14/h6,8-11,17H,2-5,7,12-13H2,1H3,(H,20,21)/t17-/m0/s1.
What are the key properties of (2S)-N-[2-(cyclohexen-1-yl)ethyl]-2-(4-fluorophenoxy)butanamide?
(2S)-N-[2-(cyclohexen-1-yl)ethyl]-2-(4-fluorophenoxy)butanamide has a molecular weight of 305.39 g/mol, XLogP of 3.99, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-[2-(cyclohexen-1-yl)ethyl]-2-(4-fluorophenoxy)butanamide is sourced from PubChem (CID 92681312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).