(E)-N-[3-[benzyl(methyl)amino]propyl]-3-(3-fluorophenyl)prop-2-enamide

C20H23FN2O — CID 46540605

IUPAC(E)-N-[3-[benzyl(methyl)amino]propyl]-3-(3-fluorophenyl)prop-2-enamide
SMILESCN(CCCNC(=O)/C=C/c1cccc(F)c1)Cc1ccccc1
InChIInChI=1S/C20H23FN2O/c1-23(16-18-7-3-2-4-8-18)14-6-13-22-20(24)12-11-17-9-5-10-19(21)15-17/h2-5,7-12,15H,6,13-14,16H2,1H3,(H,22,24)/b12-11+
InChIKeyUFMZZFHLAXOVFP-VAWYXSNFSA-N
MW326.42 g/mol
LogP3.48
Rot. Bonds8

About (E)-N-[3-[benzyl(methyl)amino]propyl]-3-(3-fluorophenyl)prop-2-enamide

(E)-N-[3-[benzyl(methyl)amino]propyl]-3-(3-fluorophenyl)prop-2-enamide (PubChem CID 46540605) has the molecular formula C20H23FN2O and a molecular weight of 326.42 g/mol. Its IUPAC name is (E)-N-[3-[benzyl(methyl)amino]propyl]-3-(3-fluorophenyl)prop-2-enamide.

Molecular Properties

Compound Name(E)-N-[3-[benzyl(methyl)amino]propyl]-3-(3-fluorophenyl)prop-2-enamide
PubChem CID46540605
Molecular FormulaC20H23FN2O
Molecular Weight326.42 g/mol
Exact Mass326.18
IUPAC Name(E)-N-[3-[benzyl(methyl)amino]propyl]-3-(3-fluorophenyl)prop-2-enamide
SMILESCN(CCCNC(=O)/C=C/c1cccc(F)c1)Cc1ccccc1
InChIInChI=1S/C20H23FN2O/c1-23(16-18-7-3-2-4-8-18)14-6-13-22-20(24)12-11-17-9-5-10-19(21)15-17/h2-5,7-12,15H,6,13-14,16H2,1H3,(H,22,24)/b12-11+
InChIKeyUFMZZFHLAXOVFP-VAWYXSNFSA-N
XLogP3.48
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.42
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-(3-fluorophenyl)-N-(3-phenylpropyl)prop-2-enamide
CID 4810838
(E)-N-[4-(dimethylamino)butyl]-3-(3-fluorophenyl)prop-2-enamide
CID 84563566
(E)-N-[2-[benzyl(methyl)amino]ethyl]-3-phenylprop-2-enamide
CID 60569011
(E)-N-[3-[benzyl(methyl)amino]propyl]-3-[4-(difluoromethoxy)-3-methoxyphenyl]prop-2-enamide
CID 46532496
N-benzyl-3-(3-fluorophenyl)-N-methylprop-2-enamide
CID 78774303
N-[3-(dimethylamino)propyl]-3-phenylprop-2-enamide
CID 4166232
(Z)-N-[3-(dimethylamino)propyl]-3-phenylprop-2-enamide
CID 98926306
3-(3-fluorophenyl)-N-(3-hydroxybutyl)prop-2-enamide
CID 77037539
(E)-N-[[4-(dimethylamino)phenyl]methyl]-3-(3-fluorophenyl)prop-2-enamide
CID 9033840
N-[4-(N-methylanilino)butyl]-3-(3-methylphenyl)prop-2-enamide
CID 76868918
(E)-3-(3-fluorophenyl)-N-[2-[(2,2,2-trifluoroacetyl)amino]ethyl]prop-2-enamide
CID 108932618
3-[[[(E)-3-(3-fluorophenyl)prop-2-enoyl]amino]methyl]benzoic acid
CID 84761715

Frequently Asked Questions

What is the IUPAC name of (E)-N-[3-[benzyl(methyl)amino]propyl]-3-(3-fluorophenyl)prop-2-enamide?
The IUPAC name of (E)-N-[3-[benzyl(methyl)amino]propyl]-3-(3-fluorophenyl)prop-2-enamide (CID 46540605) is (E)-N-[3-[benzyl(methyl)amino]propyl]-3-(3-fluorophenyl)prop-2-enamide.
What is the SMILES notation for (E)-N-[3-[benzyl(methyl)amino]propyl]-3-(3-fluorophenyl)prop-2-enamide?
The canonical SMILES for (E)-N-[3-[benzyl(methyl)amino]propyl]-3-(3-fluorophenyl)prop-2-enamide is CN(CCCNC(=O)/C=C/c1cccc(F)c1)Cc1ccccc1.
What is the InChIKey of (E)-N-[3-[benzyl(methyl)amino]propyl]-3-(3-fluorophenyl)prop-2-enamide?
The InChIKey is UFMZZFHLAXOVFP-VAWYXSNFSA-N. The full InChI is InChI=1S/C20H23FN2O/c1-23(16-18-7-3-2-4-8-18)14-6-13-22-20(24)12-11-17-9-5-10-19(21)15-17/h2-5,7-12,15H,6,13-14,16H2,1H3,(H,22,24)/b12-11+.
What are the key properties of (E)-N-[3-[benzyl(methyl)amino]propyl]-3-(3-fluorophenyl)prop-2-enamide?
(E)-N-[3-[benzyl(methyl)amino]propyl]-3-(3-fluorophenyl)prop-2-enamide has a molecular weight of 326.42 g/mol, XLogP of 3.48, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-[3-[benzyl(methyl)amino]propyl]-3-(3-fluorophenyl)prop-2-enamide is sourced from PubChem (CID 46540605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).