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

C18H24ClNO2 — CID 92674991

IUPAC(2S)-2-(2-chlorophenoxy)-N-[2-(cyclohexen-1-yl)ethyl]butanamide
SMILESCC[C@H](Oc1ccccc1Cl)C(=O)NCCC1=CCCCC1
InChIInChI=1S/C18H24ClNO2/c1-2-16(22-17-11-7-6-10-15(17)19)18(21)20-13-12-14-8-4-3-5-9-14/h6-8,10-11,16H,2-5,9,12-13H2,1H3,(H,20,21)/t16-/m0/s1
InChIKeyRLRXMNHCPLXOFC-INIZCTEOSA-N
MW321.85 g/mol
LogP4.50
Rot. Bonds7

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

(2S)-2-(2-chlorophenoxy)-N-[2-(cyclohexen-1-yl)ethyl]butanamide (PubChem CID 92674991) has the molecular formula C18H24ClNO2 and a molecular weight of 321.85 g/mol. Its IUPAC name is (2S)-2-(2-chlorophenoxy)-N-[2-(cyclohexen-1-yl)ethyl]butanamide.

Molecular Properties

Compound Name(2S)-2-(2-chlorophenoxy)-N-[2-(cyclohexen-1-yl)ethyl]butanamide
PubChem CID92674991
Molecular FormulaC18H24ClNO2
Molecular Weight321.85 g/mol
Exact Mass321.15
IUPAC Name(2S)-2-(2-chlorophenoxy)-N-[2-(cyclohexen-1-yl)ethyl]butanamide
SMILESCC[C@H](Oc1ccccc1Cl)C(=O)NCCC1=CCCCC1
InChIInChI=1S/C18H24ClNO2/c1-2-16(22-17-11-7-6-10-15(17)19)18(21)20-13-12-14-8-4-3-5-9-14/h6-8,10-11,16H,2-5,9,12-13H2,1H3,(H,20,21)/t16-/m0/s1
InChIKeyRLRXMNHCPLXOFC-INIZCTEOSA-N
XLogP4.50
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.85
LogP ≤ 54.50
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)-2-(2-chlorophenoxy)-N-[2-(cyclohexen-1-yl)ethyl]butanamide
CID 92674990
(2R)-N-[2-(cyclohexen-1-yl)ethyl]-2-naphthalen-2-yloxybutanamide
CID 28566521
(2S)-N-[2-(cyclohexen-1-yl)ethyl]-2-(4-fluorophenoxy)butanamide
CID 92681312
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
4-[2-(2-chlorophenoxy)butanoylamino]butanoic acid
CID 119352786
[(2R)-1-[2-(cyclohexen-1-yl)ethylamino]-1-oxopropan-2-yl] 2-chlorobenzoate
CID 7477025
2-(2-chlorophenoxy)-N-[2-(2-chlorophenoxy)ethyl]butanamide
CID 133239938
2-(2-chlorophenoxy)-N-[3-(4-chlorophenyl)propyl]butanamide
CID 132762013
(2R)-2-(2-chlorophenoxy)-N-(3-phenylpropyl)butanamide
CID 94016511
(2R)-2-(2-chloro-4-phenylphenoxy)-N-[2-(cyclohexen-1-yl)ethyl]propanamide
CID 7653002
N-[2-(cyclohexen-1-yl)ethyl]-2-(2,3-dichlorophenoxy)acetamide
CID 2483307

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(2-chlorophenoxy)-N-[2-(cyclohexen-1-yl)ethyl]butanamide?
The IUPAC name of (2S)-2-(2-chlorophenoxy)-N-[2-(cyclohexen-1-yl)ethyl]butanamide (CID 92674991) is (2S)-2-(2-chlorophenoxy)-N-[2-(cyclohexen-1-yl)ethyl]butanamide.
What is the SMILES notation for (2S)-2-(2-chlorophenoxy)-N-[2-(cyclohexen-1-yl)ethyl]butanamide?
The canonical SMILES for (2S)-2-(2-chlorophenoxy)-N-[2-(cyclohexen-1-yl)ethyl]butanamide is CC[C@H](Oc1ccccc1Cl)C(=O)NCCC1=CCCCC1.
What is the InChIKey of (2S)-2-(2-chlorophenoxy)-N-[2-(cyclohexen-1-yl)ethyl]butanamide?
The InChIKey is RLRXMNHCPLXOFC-INIZCTEOSA-N. The full InChI is InChI=1S/C18H24ClNO2/c1-2-16(22-17-11-7-6-10-15(17)19)18(21)20-13-12-14-8-4-3-5-9-14/h6-8,10-11,16H,2-5,9,12-13H2,1H3,(H,20,21)/t16-/m0/s1.
What are the key properties of (2S)-2-(2-chlorophenoxy)-N-[2-(cyclohexen-1-yl)ethyl]butanamide?
(2S)-2-(2-chlorophenoxy)-N-[2-(cyclohexen-1-yl)ethyl]butanamide has a molecular weight of 321.85 g/mol, XLogP of 4.50, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(2-chlorophenoxy)-N-[2-(cyclohexen-1-yl)ethyl]butanamide is sourced from PubChem (CID 92674991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).