3-(4-fluorophenyl)-N-(oxolan-2-ylmethyl)-N-propylprop-2-enamide

C17H22FNO2 — CID 3376542

IUPAC3-(4-fluorophenyl)-N-(oxolan-2-ylmethyl)-N-propylprop-2-enamide
SMILESCCCN(CC1CCCO1)C(=O)C=Cc1ccc(F)cc1
InChIInChI=1S/C17H22FNO2/c1-2-11-19(13-16-4-3-12-21-16)17(20)10-7-14-5-8-15(18)9-6-14/h5-10,16H,2-4,11-13H2,1H3
InChIKeyRNQKCZADNQEHGI-UHFFFAOYSA-N
MW291.37 g/mol
LogP3.26
Rot. Bonds6

About 3-(4-fluorophenyl)-N-(oxolan-2-ylmethyl)-N-propylprop-2-enamide

3-(4-fluorophenyl)-N-(oxolan-2-ylmethyl)-N-propylprop-2-enamide (PubChem CID 3376542) has the molecular formula C17H22FNO2 and a molecular weight of 291.37 g/mol. Its IUPAC name is 3-(4-fluorophenyl)-N-(oxolan-2-ylmethyl)-N-propylprop-2-enamide.

Molecular Properties

Compound Name3-(4-fluorophenyl)-N-(oxolan-2-ylmethyl)-N-propylprop-2-enamide
PubChem CID3376542
Molecular FormulaC17H22FNO2
Molecular Weight291.37 g/mol
Exact Mass291.16
IUPAC Name3-(4-fluorophenyl)-N-(oxolan-2-ylmethyl)-N-propylprop-2-enamide
SMILESCCCN(CC1CCCO1)C(=O)C=Cc1ccc(F)cc1
InChIInChI=1S/C17H22FNO2/c1-2-11-19(13-16-4-3-12-21-16)17(20)10-7-14-5-8-15(18)9-6-14/h5-10,16H,2-4,11-13H2,1H3
InChIKeyRNQKCZADNQEHGI-UHFFFAOYSA-N
XLogP3.26
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 ≤ 53.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze 3-(4-fluorophenyl)-N-(oxolan-2-ylmethyl)-N-propylprop-2-enamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-(4-fluorobenzyl)-4-hydroxy-1-(tetrahydro-2-furanylmethyl)-2(1H)-pyridinone
CID 54687291
(2E)-2-cyano-3-(4-fluorophenyl)-N-(tetrahydrofuran-2-ylmethyl)prop-2-enamide
CID 5760253
[(3S,4S)-4-acetyloxy-1-[(E)-3-phenylprop-2-enoyl]pyrrolidin-3-yl] acetate
CID 11638279
2,6-Dimethyl-4-(2-methyl-3-phenylacryloyl)morpholine
CID 5738011
2-[(3-Fluorophenyl)methyl-(oxolan-2-ylmethyl)amino]-1-pyrrolidin-1-ylethanone
CID 49523348
(E)-2-oxo-N-(oxolan-2-ylmethyl)-4-phenylbut-3-enamide
CID 56676721
(2E,4E)-2-cyano-4-methyl-N-(oxolan-2-ylmethyl)-5-phenylpenta-2,4-dienamide
CID 57390644
[(3R,4R)-4-acetyloxy-1-[(E)-3-phenylprop-2-enoyl]pyrrolidin-3-yl] acetate
CID 162998062
(E)-N-[2-[2-methoxyethyl(oxolan-2-ylmethyl)amino]-2-oxoethyl]-3-[4-(trifluoromethyl)phenyl]prop-2-enamide
CID 176734265
trans-Cinnamamide, N-tetrahydrofurfuryl-3-trifluoromethyl-
CID 5353223
3-phenyl-N-(tetrahydro-2-furanylmethyl)acrylamide
CID 5333373
(5Z)-5-[(2-fluorophenyl)methylidene]-3-(oxolan-2-ylmethyl)-2-sulfanylidene-1,3-thiazolidin-4-one
CID 5344063

Frequently Asked Questions

What is the IUPAC name of 3-(4-fluorophenyl)-N-(oxolan-2-ylmethyl)-N-propylprop-2-enamide?
The IUPAC name of 3-(4-fluorophenyl)-N-(oxolan-2-ylmethyl)-N-propylprop-2-enamide (CID 3376542) is 3-(4-fluorophenyl)-N-(oxolan-2-ylmethyl)-N-propylprop-2-enamide.
What is the SMILES notation for 3-(4-fluorophenyl)-N-(oxolan-2-ylmethyl)-N-propylprop-2-enamide?
The canonical SMILES for 3-(4-fluorophenyl)-N-(oxolan-2-ylmethyl)-N-propylprop-2-enamide is CCCN(CC1CCCO1)C(=O)C=Cc1ccc(F)cc1.
What is the InChIKey of 3-(4-fluorophenyl)-N-(oxolan-2-ylmethyl)-N-propylprop-2-enamide?
The InChIKey is RNQKCZADNQEHGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22FNO2/c1-2-11-19(13-16-4-3-12-21-16)17(20)10-7-14-5-8-15(18)9-6-14/h5-10,16H,2-4,11-13H2,1H3.
What are the key properties of 3-(4-fluorophenyl)-N-(oxolan-2-ylmethyl)-N-propylprop-2-enamide?
3-(4-fluorophenyl)-N-(oxolan-2-ylmethyl)-N-propylprop-2-enamide has a molecular weight of 291.37 g/mol, XLogP of 3.26, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-fluorophenyl)-N-(oxolan-2-ylmethyl)-N-propylprop-2-enamide is sourced from PubChem (CID 3376542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).