N-(4-methoxyphenyl)-N-propyl-2-[(Z)-1,3,3,3-tetrafluoro-2-(4-methylphenyl)prop-1-enoxy]acetamide

C22H23F4NO3 — CID 45113578

IUPACN-(4-methoxyphenyl)-N-propyl-2-[(Z)-1,3,3,3-tetrafluoro-2-(4-methylphenyl)prop-1-enoxy]acetamide
SMILESCCCN(C(=O)CO/C(F)=C(\c1ccc(C)cc1)C(F)(F)F)c1ccc(OC)cc1
InChIInChI=1S/C22H23F4NO3/c1-4-13-27(17-9-11-18(29-3)12-10-17)19(28)14-30-21(23)20(22(24,25)26)16-7-5-15(2)6-8-16/h5-12H,4,13-14H2,1-3H3/b21-20+
InChIKeyDTLUPWDCXKQTHS-QZQOTICOSA-N
MW425.42 g/mol
LogP5.66
Rot. Bonds8

About N-(4-methoxyphenyl)-N-propyl-2-[(Z)-1,3,3,3-tetrafluoro-2-(4-methylphenyl)prop-1-enoxy]acetamide

N-(4-methoxyphenyl)-N-propyl-2-[(Z)-1,3,3,3-tetrafluoro-2-(4-methylphenyl)prop-1-enoxy]acetamide (PubChem CID 45113578) has the molecular formula C22H23F4NO3 and a molecular weight of 425.42 g/mol. Its IUPAC name is N-(4-methoxyphenyl)-N-propyl-2-[(Z)-1,3,3,3-tetrafluoro-2-(4-methylphenyl)prop-1-enoxy]acetamide.

Molecular Properties

Compound NameN-(4-methoxyphenyl)-N-propyl-2-[(Z)-1,3,3,3-tetrafluoro-2-(4-methylphenyl)prop-1-enoxy]acetamide
PubChem CID45113578
Molecular FormulaC22H23F4NO3
Molecular Weight425.42 g/mol
Exact Mass425.16
IUPAC NameN-(4-methoxyphenyl)-N-propyl-2-[(Z)-1,3,3,3-tetrafluoro-2-(4-methylphenyl)prop-1-enoxy]acetamide
SMILESCCCN(C(=O)CO/C(F)=C(\c1ccc(C)cc1)C(F)(F)F)c1ccc(OC)cc1
InChIInChI=1S/C22H23F4NO3/c1-4-13-27(17-9-11-18(29-3)12-10-17)19(28)14-30-21(23)20(22(24,25)26)16-7-5-15(2)6-8-16/h5-12H,4,13-14H2,1-3H3/b21-20+
InChIKeyDTLUPWDCXKQTHS-QZQOTICOSA-N
XLogP5.66
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500425.42
LogP ≤ 55.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

Analyze N-(4-methoxyphenyl)-N-propyl-2-[(Z)-1,3,3,3-tetrafluoro-2-(4-methylphenyl)prop-1-enoxy]acetamide with MolForge

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Related Compounds

N-(4-chlorophenyl)-N-ethyl-2-[(E)-1,3,3,3-tetrafluoro-2-(4-methylphenyl)prop-1-enoxy]acetamide
CID 46191524
[2-[(4-methylphenyl)methyl-propylamino]-2-oxoethyl] 2-[(4-methoxybenzoyl)amino]acetate
CID 9345553
N-(4-aminophenyl)-2-methoxy-N-propylacetamide
CID 63233545
[4-[4-(4-methoxybenzoyl)benzoyl]phenyl]-(4-methylphenyl)methanone
CID 90306891
1-methoxy-4-[(Z)-1,1,1-trifluoro-3-(4-methoxyphenyl)but-2-en-2-yl]benzene
CID 10958235
4-methoxybenzoic acid;1-methoxy-4-methylbenzene
CID 18916324
methane;(4-methoxyphenyl)-(4-methylphenyl)methanone
CID 161368875
ethyl (E)-4,4,4-trifluoro-3-(4-methylphenyl)but-2-enoate
CID 12063996
3-(4-fluoro-N-[2-(4-methoxyphenoxy)acetyl]anilino)propanamide
CID 17419390
[4-[(E)-1-(4-methoxyphenyl)-2-[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]ethenyl]phenyl] 2-oxopropyl carbonate
CID 20582109
N-(4-aminophenyl)-3,3,3-trifluoro-N-propylpropanamide
CID 63234191
N-[4-[4-[4-(4-methoxy-N-(4-methoxyphenyl)anilino)phenyl]phenyl]phenyl]-4-methyl-N-(4-methylphenyl)aniline
CID 130397287

Frequently Asked Questions

What is the IUPAC name of N-(4-methoxyphenyl)-N-propyl-2-[(Z)-1,3,3,3-tetrafluoro-2-(4-methylphenyl)prop-1-enoxy]acetamide?
The IUPAC name of N-(4-methoxyphenyl)-N-propyl-2-[(Z)-1,3,3,3-tetrafluoro-2-(4-methylphenyl)prop-1-enoxy]acetamide (CID 45113578) is N-(4-methoxyphenyl)-N-propyl-2-[(Z)-1,3,3,3-tetrafluoro-2-(4-methylphenyl)prop-1-enoxy]acetamide.
What is the SMILES notation for N-(4-methoxyphenyl)-N-propyl-2-[(Z)-1,3,3,3-tetrafluoro-2-(4-methylphenyl)prop-1-enoxy]acetamide?
The canonical SMILES for N-(4-methoxyphenyl)-N-propyl-2-[(Z)-1,3,3,3-tetrafluoro-2-(4-methylphenyl)prop-1-enoxy]acetamide is CCCN(C(=O)CO/C(F)=C(\c1ccc(C)cc1)C(F)(F)F)c1ccc(OC)cc1.
What is the InChIKey of N-(4-methoxyphenyl)-N-propyl-2-[(Z)-1,3,3,3-tetrafluoro-2-(4-methylphenyl)prop-1-enoxy]acetamide?
The InChIKey is DTLUPWDCXKQTHS-QZQOTICOSA-N. The full InChI is InChI=1S/C22H23F4NO3/c1-4-13-27(17-9-11-18(29-3)12-10-17)19(28)14-30-21(23)20(22(24,25)26)16-7-5-15(2)6-8-16/h5-12H,4,13-14H2,1-3H3/b21-20+.
What are the key properties of N-(4-methoxyphenyl)-N-propyl-2-[(Z)-1,3,3,3-tetrafluoro-2-(4-methylphenyl)prop-1-enoxy]acetamide?
N-(4-methoxyphenyl)-N-propyl-2-[(Z)-1,3,3,3-tetrafluoro-2-(4-methylphenyl)prop-1-enoxy]acetamide has a molecular weight of 425.42 g/mol, XLogP of 5.66, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methoxyphenyl)-N-propyl-2-[(Z)-1,3,3,3-tetrafluoro-2-(4-methylphenyl)prop-1-enoxy]acetamide is sourced from PubChem (CID 45113578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).