(E)-N-[(4-fluorophenyl)methyl]-N-(oxolan-2-ylmethyl)pent-3-enamide

C17H22FNO2 — CID 50963101

IUPAC(E)-N-[(4-fluorophenyl)methyl]-N-(oxolan-2-ylmethyl)pent-3-enamide
SMILESC/C=C/CC(=O)N(Cc1ccc(F)cc1)CC1CCCO1
InChIInChI=1S/C17H22FNO2/c1-2-3-6-17(20)19(13-16-5-4-11-21-16)12-14-7-9-15(18)10-8-14/h2-3,7-10,16H,4-6,11-13H2,1H3/b3-2+
InChIKeyCTKWGWLIYPRXFB-NSCUHMNNSA-N
MW291.37 g/mol
LogP3.30
Rot. Bonds6

About (E)-N-[(4-fluorophenyl)methyl]-N-(oxolan-2-ylmethyl)pent-3-enamide

(E)-N-[(4-fluorophenyl)methyl]-N-(oxolan-2-ylmethyl)pent-3-enamide (PubChem CID 50963101) has the molecular formula C17H22FNO2 and a molecular weight of 291.37 g/mol. Its IUPAC name is (E)-N-[(4-fluorophenyl)methyl]-N-(oxolan-2-ylmethyl)pent-3-enamide.

Molecular Properties

Compound Name(E)-N-[(4-fluorophenyl)methyl]-N-(oxolan-2-ylmethyl)pent-3-enamide
PubChem CID50963101
Molecular FormulaC17H22FNO2
Molecular Weight291.37 g/mol
Exact Mass291.16
IUPAC Name(E)-N-[(4-fluorophenyl)methyl]-N-(oxolan-2-ylmethyl)pent-3-enamide
SMILESC/C=C/CC(=O)N(Cc1ccc(F)cc1)CC1CCCO1
InChIInChI=1S/C17H22FNO2/c1-2-3-6-17(20)19(13-16-5-4-11-21-16)12-14-7-9-15(18)10-8-14/h2-3,7-10,16H,4-6,11-13H2,1H3/b3-2+
InChIKeyCTKWGWLIYPRXFB-NSCUHMNNSA-N
XLogP3.30
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.37
LogP ≤ 53.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-Pyrrolidinone, 5-(1-methylethoxy)-1-(phenylmethyl)-, (+-)-
CID 3077960
1-Benzyl-5-(pentyloxy)pyrrolidin-2-one
CID 3077962
2-Pyrrolidinone, 1-((3-fluorophenyl)methyl)-5-(octyloxy)-, (+-)-
CID 3077972
2-Pyrrolidinone, 1-((4-fluorophenyl)methyl)-5-(octyloxy)-, (+-)-
CID 3077973
1-(4-Methylbenzyl)-4-(tetrahydro-2-furanylcarbonyl)piperazine
CID 2971292
4-[(2-Fluorophenyl)methyl]piperazinyl oxolan-2-yl ketone
CID 6469370
N-{[1-(2-fluorobenzyl)-4-piperidinyl]methyl}-2-(4-fluorophenyl)-N-(tetrahydro-2-furanylmethyl)acetamide
CID 45169359
1-[(2-fluorophenyl)methyl]-5-oxo-N-(oxolan-2-ylmethyl)pyrrolidine-3-carboxamide
CID 46110032
2-[(3-Fluorophenyl)methyl-(oxolan-2-ylmethyl)amino]-1-pyrrolidin-1-ylethanone
CID 49523348
N-[(4-fluorophenyl)methyl]-2-methoxy-N-methylacetamide
CID 60636060
1-[(5aR,8aS)-7-[(2-fluorophenyl)methyl]-3,5,5a,6,8,8a-hexahydro-2H-pyrrolo[3,4-f][1,4]oxazepin-4-yl]ethanone
CID 97420286
N-[[(2S)-3,4-dihydro-2H-pyran-2-yl]methyl]-2,2,2-trifluoro-N-[(1R)-1-phenylethyl]acetamide
CID 11023403

Frequently Asked Questions

What is the IUPAC name of (E)-N-[(4-fluorophenyl)methyl]-N-(oxolan-2-ylmethyl)pent-3-enamide?
The IUPAC name of (E)-N-[(4-fluorophenyl)methyl]-N-(oxolan-2-ylmethyl)pent-3-enamide (CID 50963101) is (E)-N-[(4-fluorophenyl)methyl]-N-(oxolan-2-ylmethyl)pent-3-enamide.
What is the SMILES notation for (E)-N-[(4-fluorophenyl)methyl]-N-(oxolan-2-ylmethyl)pent-3-enamide?
The canonical SMILES for (E)-N-[(4-fluorophenyl)methyl]-N-(oxolan-2-ylmethyl)pent-3-enamide is C/C=C/CC(=O)N(Cc1ccc(F)cc1)CC1CCCO1.
What is the InChIKey of (E)-N-[(4-fluorophenyl)methyl]-N-(oxolan-2-ylmethyl)pent-3-enamide?
The InChIKey is CTKWGWLIYPRXFB-NSCUHMNNSA-N. The full InChI is InChI=1S/C17H22FNO2/c1-2-3-6-17(20)19(13-16-5-4-11-21-16)12-14-7-9-15(18)10-8-14/h2-3,7-10,16H,4-6,11-13H2,1H3/b3-2+.
What are the key properties of (E)-N-[(4-fluorophenyl)methyl]-N-(oxolan-2-ylmethyl)pent-3-enamide?
(E)-N-[(4-fluorophenyl)methyl]-N-(oxolan-2-ylmethyl)pent-3-enamide has a molecular weight of 291.37 g/mol, XLogP of 3.30, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-[(4-fluorophenyl)methyl]-N-(oxolan-2-ylmethyl)pent-3-enamide is sourced from PubChem (CID 50963101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).