(E)-2-amino-N-(4-methylphenyl)-3-[(Z)-prop-1-enyl]-N-[2-[4-(trifluoromethyl)phenyl]ethyl]hex-3-enamide

C25H29F3N2O — CID 143753245

IUPAC(E)-2-amino-N-(4-methylphenyl)-3-[(Z)-prop-1-enyl]-N-[2-[4-(trifluoromethyl)phenyl]ethyl]hex-3-enamide
SMILESC/C=C\C(=C/CC)C(N)C(=O)N(CCc1ccc(C(F)(F)F)cc1)c1ccc(C)cc1
InChIInChI=1S/C25H29F3N2O/c1-4-6-20(7-5-2)23(29)24(31)30(22-14-8-18(3)9-15-22)17-16-19-10-12-21(13-11-19)25(26,27)28/h4,6-15,23H,5,16-17,29H2,1-3H3/b6-4-,20-7+
InChIKeyMAGXHJKBDJYYGI-IIZGQCKHSA-N
MW430.51 g/mol
LogP5.83
Rot. Bonds8

About (E)-2-amino-N-(4-methylphenyl)-3-[(Z)-prop-1-enyl]-N-[2-[4-(trifluoromethyl)phenyl]ethyl]hex-3-enamide

(E)-2-amino-N-(4-methylphenyl)-3-[(Z)-prop-1-enyl]-N-[2-[4-(trifluoromethyl)phenyl]ethyl]hex-3-enamide (PubChem CID 143753245) has the molecular formula C25H29F3N2O and a molecular weight of 430.51 g/mol. Its IUPAC name is (E)-2-amino-N-(4-methylphenyl)-3-[(Z)-prop-1-enyl]-N-[2-[4-(trifluoromethyl)phenyl]ethyl]hex-3-enamide.

Molecular Properties

Compound Name(E)-2-amino-N-(4-methylphenyl)-3-[(Z)-prop-1-enyl]-N-[2-[4-(trifluoromethyl)phenyl]ethyl]hex-3-enamide
PubChem CID143753245
Molecular FormulaC25H29F3N2O
Molecular Weight430.51 g/mol
Exact Mass430.22
IUPAC Name(E)-2-amino-N-(4-methylphenyl)-3-[(Z)-prop-1-enyl]-N-[2-[4-(trifluoromethyl)phenyl]ethyl]hex-3-enamide
SMILESC/C=C\C(=C/CC)C(N)C(=O)N(CCc1ccc(C(F)(F)F)cc1)c1ccc(C)cc1
InChIInChI=1S/C25H29F3N2O/c1-4-6-20(7-5-2)23(29)24(31)30(22-14-8-18(3)9-15-22)17-16-19-10-12-21(13-11-19)25(26,27)28/h4,6-15,23H,5,16-17,29H2,1-3H3/b6-4-,20-7+
InChIKeyMAGXHJKBDJYYGI-IIZGQCKHSA-N
XLogP5.83
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500430.51
LogP ≤ 55.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-amino-N-(4-methylphenyl)-2-phenyl-N-[2-[4-(trifluoromethyl)phenyl]ethyl]acetamide
CID 25183857
2-amino-N-(4-decoxyphenyl)-2-phenyl-N-[2-[4-(trifluoromethyl)phenyl]ethyl]acetamide
CID 158980737
(2R)-2-amino-N-(3,4-dimethylphenyl)-2-thiophen-2-yl-N-[2-[4-(trifluoromethyl)phenyl]ethyl]acetamide;hydrochloride
CID 68725094
1-methyl-4-[2-[4-(trifluoromethyl)phenyl]ethyl]benzene
CID 20686233
(2S)-2-amino-N-chloro-N-[2-[4-[4-(trifluoromethyl)phenyl]phenyl]ethyl]hexanamide
CID 168861912
2-amino-N-(3-fluoro-4-methoxyphenyl)-2-(2-methoxyphenyl)-N-[2-[4-(trifluoromethyl)phenyl]ethyl]acetamide
CID 25183549
N-methyl-2-[4-methyl-N-[3-[4-(trifluoromethyl)phenyl]propyl]anilino]-2-phenylacetamide
CID 69039769
N-[2-[N-acetyl-4-(trifluoromethyl)anilino]ethyl]-2-(4-methylphenyl)acetamide
CID 113061521
2-amino-N-(3,4-dimethoxyphenyl)-2-(3-fluorophenyl)-N-[2-[4-(trifluoromethyl)phenyl]ethyl]acetamide
CID 25181697
2-amino-2-(2-methoxyphenyl)-N-(6-methoxy-3-pyridinyl)-N-[2-[4-(trifluoromethyl)phenyl]ethyl]acetamide
CID 58007603
(E)-1-[4-(trifluoromethyl)phenyl]pent-3-en-2-one
CID 103453232
N-(3,4-dimethoxyphenyl)-N'-[(4-methylphenyl)methyl]-2-phenyl-N-[2-[4-(trifluoromethyl)phenyl]ethyl]propanediamide;3-[3,4-dimethoxy-N-[2-[4-(trifluoromethyl)phenyl]ethyl]anilino]-3-oxo-2-phenylpropanoic acid
CID 158942975

Frequently Asked Questions

What is the IUPAC name of (E)-2-amino-N-(4-methylphenyl)-3-[(Z)-prop-1-enyl]-N-[2-[4-(trifluoromethyl)phenyl]ethyl]hex-3-enamide?
The IUPAC name of (E)-2-amino-N-(4-methylphenyl)-3-[(Z)-prop-1-enyl]-N-[2-[4-(trifluoromethyl)phenyl]ethyl]hex-3-enamide (CID 143753245) is (E)-2-amino-N-(4-methylphenyl)-3-[(Z)-prop-1-enyl]-N-[2-[4-(trifluoromethyl)phenyl]ethyl]hex-3-enamide.
What is the SMILES notation for (E)-2-amino-N-(4-methylphenyl)-3-[(Z)-prop-1-enyl]-N-[2-[4-(trifluoromethyl)phenyl]ethyl]hex-3-enamide?
The canonical SMILES for (E)-2-amino-N-(4-methylphenyl)-3-[(Z)-prop-1-enyl]-N-[2-[4-(trifluoromethyl)phenyl]ethyl]hex-3-enamide is C/C=C\C(=C/CC)C(N)C(=O)N(CCc1ccc(C(F)(F)F)cc1)c1ccc(C)cc1.
What is the InChIKey of (E)-2-amino-N-(4-methylphenyl)-3-[(Z)-prop-1-enyl]-N-[2-[4-(trifluoromethyl)phenyl]ethyl]hex-3-enamide?
The InChIKey is MAGXHJKBDJYYGI-IIZGQCKHSA-N. The full InChI is InChI=1S/C25H29F3N2O/c1-4-6-20(7-5-2)23(29)24(31)30(22-14-8-18(3)9-15-22)17-16-19-10-12-21(13-11-19)25(26,27)28/h4,6-15,23H,5,16-17,29H2,1-3H3/b6-4-,20-7+.
What are the key properties of (E)-2-amino-N-(4-methylphenyl)-3-[(Z)-prop-1-enyl]-N-[2-[4-(trifluoromethyl)phenyl]ethyl]hex-3-enamide?
(E)-2-amino-N-(4-methylphenyl)-3-[(Z)-prop-1-enyl]-N-[2-[4-(trifluoromethyl)phenyl]ethyl]hex-3-enamide has a molecular weight of 430.51 g/mol, XLogP of 5.83, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-2-amino-N-(4-methylphenyl)-3-[(Z)-prop-1-enyl]-N-[2-[4-(trifluoromethyl)phenyl]ethyl]hex-3-enamide is sourced from PubChem (CID 143753245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).