(E)-3-(3-fluoro-4-methoxyphenyl)-N-[3-(1-phenylethoxy)propyl]prop-2-enamide

C21H24FNO3 — CID 24678076

IUPAC(E)-3-(3-fluoro-4-methoxyphenyl)-N-[3-(1-phenylethoxy)propyl]prop-2-enamide
SMILESCOc1ccc(/C=C/C(=O)NCCCOC(C)c2ccccc2)cc1F
InChIInChI=1S/C21H24FNO3/c1-16(18-7-4-3-5-8-18)26-14-6-13-23-21(24)12-10-17-9-11-20(25-2)19(22)15-17/h3-5,7-12,15-16H,6,13-14H2,1-2H3,(H,23,24)/b12-10+
InChIKeyAZAAPZZFEMGZLI-ZRDIBKRKSA-N
MW357.43 g/mol
LogP4.13
Rot. Bonds9

About (E)-3-(3-fluoro-4-methoxyphenyl)-N-[3-(1-phenylethoxy)propyl]prop-2-enamide

(E)-3-(3-fluoro-4-methoxyphenyl)-N-[3-(1-phenylethoxy)propyl]prop-2-enamide (PubChem CID 24678076) has the molecular formula C21H24FNO3 and a molecular weight of 357.43 g/mol. Its IUPAC name is (E)-3-(3-fluoro-4-methoxyphenyl)-N-[3-(1-phenylethoxy)propyl]prop-2-enamide.

Molecular Properties

Compound Name(E)-3-(3-fluoro-4-methoxyphenyl)-N-[3-(1-phenylethoxy)propyl]prop-2-enamide
PubChem CID24678076
Molecular FormulaC21H24FNO3
Molecular Weight357.43 g/mol
Exact Mass357.17
IUPAC Name(E)-3-(3-fluoro-4-methoxyphenyl)-N-[3-(1-phenylethoxy)propyl]prop-2-enamide
SMILESCOc1ccc(/C=C/C(=O)NCCCOC(C)c2ccccc2)cc1F
InChIInChI=1S/C21H24FNO3/c1-16(18-7-4-3-5-8-18)26-14-6-13-23-21(24)12-10-17-9-11-20(25-2)19(22)15-17/h3-5,7-12,15-16H,6,13-14H2,1-2H3,(H,23,24)/b12-10+
InChIKeyAZAAPZZFEMGZLI-ZRDIBKRKSA-N
XLogP4.13
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.43
LogP ≤ 54.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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

(E)-3-(3-fluoro-4-methoxyphenyl)-N-propylprop-2-enamide
CID 60666436
(E)-N-(3-benzhydryloxypropyl)-3-[3-methoxy-4-(2-methoxyethoxymethoxy)phenyl]prop-2-enamide
CID 70482910
N-(4-chlorophenyl)-4-[3-(3-fluoro-4-methoxyphenyl)prop-2-enoylamino]butanamide
CID 55991203
4-fluoro-N-[2-[3-(3-fluoro-4-methoxyphenyl)prop-2-enoylamino]ethyl]benzamide
CID 103598424
3-(3-fluoro-4-methoxyphenyl)-N-(3-hydroxy-2-methylpropyl)prop-2-enamide
CID 77055695
(E)-3-(furan-2-yl)-N-[3-(1-phenylethoxy)propyl]prop-2-enamide
CID 46557135
(E)-3-(3-fluoro-4-methoxyphenyl)-N-[2-(4-fluorophenyl)ethyl]prop-2-enamide
CID 9210510
N-[(3-fluoro-4-methoxyphenyl)methyl]-3-(1-phenylethoxy)propan-1-amine
CID 78826025
(Z)-3-(3,4-dimethoxyphenyl)-N-[3-[[(Z)-3-(3,4-dimethoxyphenyl)prop-2-enoyl]amino]propyl]prop-2-enamide
CID 92928565
2-(5-acetyl-2-methoxyphenyl)-N-[3-(1-phenylethoxy)propyl]acetamide
CID 46536768
methyl 3-[[(E)-3-(3-fluoro-4-methoxyphenyl)prop-2-enoyl]amino]-2-hydroxypropanoate
CID 103957945
(E)-3-(7-chloro-1,3-benzodioxol-5-yl)-N-[3-(1-phenylethoxy)propyl]prop-2-enamide
CID 24678064

Frequently Asked Questions

What is the IUPAC name of (E)-3-(3-fluoro-4-methoxyphenyl)-N-[3-(1-phenylethoxy)propyl]prop-2-enamide?
The IUPAC name of (E)-3-(3-fluoro-4-methoxyphenyl)-N-[3-(1-phenylethoxy)propyl]prop-2-enamide (CID 24678076) is (E)-3-(3-fluoro-4-methoxyphenyl)-N-[3-(1-phenylethoxy)propyl]prop-2-enamide.
What is the SMILES notation for (E)-3-(3-fluoro-4-methoxyphenyl)-N-[3-(1-phenylethoxy)propyl]prop-2-enamide?
The canonical SMILES for (E)-3-(3-fluoro-4-methoxyphenyl)-N-[3-(1-phenylethoxy)propyl]prop-2-enamide is COc1ccc(/C=C/C(=O)NCCCOC(C)c2ccccc2)cc1F.
What is the InChIKey of (E)-3-(3-fluoro-4-methoxyphenyl)-N-[3-(1-phenylethoxy)propyl]prop-2-enamide?
The InChIKey is AZAAPZZFEMGZLI-ZRDIBKRKSA-N. The full InChI is InChI=1S/C21H24FNO3/c1-16(18-7-4-3-5-8-18)26-14-6-13-23-21(24)12-10-17-9-11-20(25-2)19(22)15-17/h3-5,7-12,15-16H,6,13-14H2,1-2H3,(H,23,24)/b12-10+.
What are the key properties of (E)-3-(3-fluoro-4-methoxyphenyl)-N-[3-(1-phenylethoxy)propyl]prop-2-enamide?
(E)-3-(3-fluoro-4-methoxyphenyl)-N-[3-(1-phenylethoxy)propyl]prop-2-enamide has a molecular weight of 357.43 g/mol, XLogP of 4.13, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(3-fluoro-4-methoxyphenyl)-N-[3-(1-phenylethoxy)propyl]prop-2-enamide is sourced from PubChem (CID 24678076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).