3-ethoxy-N-[[1-(4-fluorophenyl)cyclohexyl]methyl]propanamide

C18H26FNO2 — CID 56500429

IUPAC3-ethoxy-N-[[1-(4-fluorophenyl)cyclohexyl]methyl]propanamide
SMILESCCOCCC(=O)NCC1(c2ccc(F)cc2)CCCCC1
InChIInChI=1S/C18H26FNO2/c1-2-22-13-10-17(21)20-14-18(11-4-3-5-12-18)15-6-8-16(19)9-7-15/h6-9H,2-5,10-14H2,1H3,(H,20,21)
InChIKeyGCEOEJKTKYOJOT-UHFFFAOYSA-N
MW307.41 g/mol
LogP3.57
Rot. Bonds7

About 3-ethoxy-N-[[1-(4-fluorophenyl)cyclohexyl]methyl]propanamide

3-ethoxy-N-[[1-(4-fluorophenyl)cyclohexyl]methyl]propanamide (PubChem CID 56500429) has the molecular formula C18H26FNO2 and a molecular weight of 307.41 g/mol. Its IUPAC name is 3-ethoxy-N-[[1-(4-fluorophenyl)cyclohexyl]methyl]propanamide.

Molecular Properties

Compound Name3-ethoxy-N-[[1-(4-fluorophenyl)cyclohexyl]methyl]propanamide
PubChem CID56500429
Molecular FormulaC18H26FNO2
Molecular Weight307.41 g/mol
Exact Mass307.19
IUPAC Name3-ethoxy-N-[[1-(4-fluorophenyl)cyclohexyl]methyl]propanamide
SMILESCCOCCC(=O)NCC1(c2ccc(F)cc2)CCCCC1
InChIInChI=1S/C18H26FNO2/c1-2-22-13-10-17(21)20-14-18(11-4-3-5-12-18)15-6-8-16(19)9-7-15/h6-9H,2-5,10-14H2,1H3,(H,20,21)
InChIKeyGCEOEJKTKYOJOT-UHFFFAOYSA-N
XLogP3.57
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.41
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-[[1-(4-fluorophenyl)cyclopentyl]methyl]-3-propan-2-yloxypropanamide
CID 86994816
4-amino-N-[[1-(4-fluorophenyl)cyclohexyl]methyl]pentanamide;hydrochloride
CID 120561267
4-amino-N-[[1-(4-fluorophenyl)cyclobutyl]methyl]pentanamide;hydrochloride
CID 120561735
3-amino-N-[[1-(4-fluorophenyl)cyclopropyl]methyl]propanamide
CID 110478929
3-chloro-N-[[1-(4-fluorophenyl)cyclopropyl]methyl]propanamide
CID 110480778
3-methoxy-N-[(1-phenylcyclopentyl)methyl]propanamide
CID 110480493
2-(cyclopropylmethylamino)-N-[[1-(4-fluorophenyl)cyclopentyl]methyl]acetamide;hydrochloride
CID 119731159
ethyl 2-[[1-(4-fluorophenyl)cyclopropyl]methylamino]-2-oxoacetate
CID 110481833
2-[[2-(tert-butylamino)-2-oxoethyl]-methylamino]-N-[[1-(4-fluorophenyl)cyclopentyl]methyl]acetamide
CID 87014302
4-amino-N-[[4-(4-fluorophenyl)oxan-4-yl]methyl]pentanamide
CID 120561270
N-[[1-(4-fluorophenyl)cyclopropyl]methyl]-2-(methylamino)acetamide;hydrochloride
CID 119731211
2-(dimethylamino)-N-[[1-(4-fluorophenyl)cyclopropyl]methyl]acetamide
CID 110479728

Frequently Asked Questions

What is the IUPAC name of 3-ethoxy-N-[[1-(4-fluorophenyl)cyclohexyl]methyl]propanamide?
The IUPAC name of 3-ethoxy-N-[[1-(4-fluorophenyl)cyclohexyl]methyl]propanamide (CID 56500429) is 3-ethoxy-N-[[1-(4-fluorophenyl)cyclohexyl]methyl]propanamide.
What is the SMILES notation for 3-ethoxy-N-[[1-(4-fluorophenyl)cyclohexyl]methyl]propanamide?
The canonical SMILES for 3-ethoxy-N-[[1-(4-fluorophenyl)cyclohexyl]methyl]propanamide is CCOCCC(=O)NCC1(c2ccc(F)cc2)CCCCC1.
What is the InChIKey of 3-ethoxy-N-[[1-(4-fluorophenyl)cyclohexyl]methyl]propanamide?
The InChIKey is GCEOEJKTKYOJOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26FNO2/c1-2-22-13-10-17(21)20-14-18(11-4-3-5-12-18)15-6-8-16(19)9-7-15/h6-9H,2-5,10-14H2,1H3,(H,20,21).
What are the key properties of 3-ethoxy-N-[[1-(4-fluorophenyl)cyclohexyl]methyl]propanamide?
3-ethoxy-N-[[1-(4-fluorophenyl)cyclohexyl]methyl]propanamide has a molecular weight of 307.41 g/mol, XLogP of 3.57, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethoxy-N-[[1-(4-fluorophenyl)cyclohexyl]methyl]propanamide is sourced from PubChem (CID 56500429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).