(E)-3-(4-fluorophenyl)-N-[3-[2-phenylethyl(propan-2-yl)amino]propyl]prop-2-enamide

C23H29FN2O — CID 15023561

IUPAC(E)-3-(4-fluorophenyl)-N-[3-[2-phenylethyl(propan-2-yl)amino]propyl]prop-2-enamide
SMILESCC(C)N(CCCNC(=O)/C=C/c1ccc(F)cc1)CCc1ccccc1
InChIInChI=1S/C23H29FN2O/c1-19(2)26(18-15-20-7-4-3-5-8-20)17-6-16-25-23(27)14-11-21-9-12-22(24)13-10-21/h3-5,7-14,19H,6,15-18H2,1-2H3,(H,25,27)/b14-11+
InChIKeyIYTWKKLTAUQSOM-SDNWHVSQSA-N
MW368.50 g/mol
LogP4.30
Rot. Bonds10

About (E)-3-(4-fluorophenyl)-N-[3-[2-phenylethyl(propan-2-yl)amino]propyl]prop-2-enamide

(E)-3-(4-fluorophenyl)-N-[3-[2-phenylethyl(propan-2-yl)amino]propyl]prop-2-enamide (PubChem CID 15023561) has the molecular formula C23H29FN2O and a molecular weight of 368.50 g/mol. Its IUPAC name is (E)-3-(4-fluorophenyl)-N-[3-[2-phenylethyl(propan-2-yl)amino]propyl]prop-2-enamide.

Molecular Properties

Compound Name(E)-3-(4-fluorophenyl)-N-[3-[2-phenylethyl(propan-2-yl)amino]propyl]prop-2-enamide
PubChem CID15023561
Molecular FormulaC23H29FN2O
Molecular Weight368.50 g/mol
Exact Mass368.23
IUPAC Name(E)-3-(4-fluorophenyl)-N-[3-[2-phenylethyl(propan-2-yl)amino]propyl]prop-2-enamide
SMILESCC(C)N(CCCNC(=O)/C=C/c1ccc(F)cc1)CCc1ccccc1
InChIInChI=1S/C23H29FN2O/c1-19(2)26(18-15-20-7-4-3-5-8-20)17-6-16-25-23(27)14-11-21-9-12-22(24)13-10-21/h3-5,7-14,19H,6,15-18H2,1-2H3,(H,25,27)/b14-11+
InChIKeyIYTWKKLTAUQSOM-SDNWHVSQSA-N
XLogP4.30
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.50
LogP ≤ 54.30
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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Frequently Asked Questions

What is the IUPAC name of (E)-3-(4-fluorophenyl)-N-[3-[2-phenylethyl(propan-2-yl)amino]propyl]prop-2-enamide?
The IUPAC name of (E)-3-(4-fluorophenyl)-N-[3-[2-phenylethyl(propan-2-yl)amino]propyl]prop-2-enamide (CID 15023561) is (E)-3-(4-fluorophenyl)-N-[3-[2-phenylethyl(propan-2-yl)amino]propyl]prop-2-enamide.
What is the SMILES notation for (E)-3-(4-fluorophenyl)-N-[3-[2-phenylethyl(propan-2-yl)amino]propyl]prop-2-enamide?
The canonical SMILES for (E)-3-(4-fluorophenyl)-N-[3-[2-phenylethyl(propan-2-yl)amino]propyl]prop-2-enamide is CC(C)N(CCCNC(=O)/C=C/c1ccc(F)cc1)CCc1ccccc1.
What is the InChIKey of (E)-3-(4-fluorophenyl)-N-[3-[2-phenylethyl(propan-2-yl)amino]propyl]prop-2-enamide?
The InChIKey is IYTWKKLTAUQSOM-SDNWHVSQSA-N. The full InChI is InChI=1S/C23H29FN2O/c1-19(2)26(18-15-20-7-4-3-5-8-20)17-6-16-25-23(27)14-11-21-9-12-22(24)13-10-21/h3-5,7-14,19H,6,15-18H2,1-2H3,(H,25,27)/b14-11+.
What are the key properties of (E)-3-(4-fluorophenyl)-N-[3-[2-phenylethyl(propan-2-yl)amino]propyl]prop-2-enamide?
(E)-3-(4-fluorophenyl)-N-[3-[2-phenylethyl(propan-2-yl)amino]propyl]prop-2-enamide has a molecular weight of 368.50 g/mol, XLogP of 4.30, 10 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(4-fluorophenyl)-N-[3-[2-phenylethyl(propan-2-yl)amino]propyl]prop-2-enamide is sourced from PubChem (CID 15023561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).