N-[3-[(E)-2-[4-(dimethylamino)phenyl]ethenyl]phenyl]-2-methoxyacetamide

C19H22N2O2 — CID 174721053

IUPACN-[3-[(E)-2-[4-(dimethylamino)phenyl]ethenyl]phenyl]-2-methoxyacetamide
SMILESCOCC(=O)Nc1cccc(/C=C/c2ccc(N(C)C)cc2)c1
InChIInChI=1S/C19H22N2O2/c1-21(2)18-11-9-15(10-12-18)7-8-16-5-4-6-17(13-16)20-19(22)14-23-3/h4-13H,14H2,1-3H3,(H,20,22)/b8-7+
InChIKeyLAWAEOLPXKNVAQ-BQYQJAHWSA-N
MW310.40 g/mol
LogP3.51
Rot. Bonds6

About N-[3-[(E)-2-[4-(dimethylamino)phenyl]ethenyl]phenyl]-2-methoxyacetamide

N-[3-[(E)-2-[4-(dimethylamino)phenyl]ethenyl]phenyl]-2-methoxyacetamide (PubChem CID 174721053) has the molecular formula C19H22N2O2 and a molecular weight of 310.40 g/mol. Its IUPAC name is N-[3-[(E)-2-[4-(dimethylamino)phenyl]ethenyl]phenyl]-2-methoxyacetamide.

Molecular Properties

Compound NameN-[3-[(E)-2-[4-(dimethylamino)phenyl]ethenyl]phenyl]-2-methoxyacetamide
PubChem CID174721053
Molecular FormulaC19H22N2O2
Molecular Weight310.40 g/mol
Exact Mass310.17
IUPAC NameN-[3-[(E)-2-[4-(dimethylamino)phenyl]ethenyl]phenyl]-2-methoxyacetamide
SMILESCOCC(=O)Nc1cccc(/C=C/c2ccc(N(C)C)cc2)c1
InChIInChI=1S/C19H22N2O2/c1-21(2)18-11-9-15(10-12-18)7-8-16-5-4-6-17(13-16)20-19(22)14-23-3/h4-13H,14H2,1-3H3,(H,20,22)/b8-7+
InChIKeyLAWAEOLPXKNVAQ-BQYQJAHWSA-N
XLogP3.51
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.40
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_B(251)', 'substructure': 'N/A'}, {'alert_name': 'stilbene', 'substructure': 'N/A'}

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Related Compounds

(1E,4E)-1-[4-(dimethylamino)phenyl]-5-[3-(methylamino)phenyl]penta-1,4-dien-3-one
CID 52936918
N-[3-[(E)-3-(1,6-dimethyl-2,4-dioxo-3-pyridinyl)-3-oxoprop-1-enyl]phenyl]-2-methoxyacetamide
CID 11638988
N-(3-aminophenyl)-2-methoxyacetamide
CID 11137720
2-[(E)-[4-(dimethylamino)phenyl]methylideneamino]oxy-N-(3-phenoxyphenyl)acetamide
CID 6907348
2-[[4-(dimethylamino)phenyl]methylideneamino]oxy-N-(3-phenoxyphenyl)acetamide
CID 2565865
(E)-N-[4-[(2-methoxyacetyl)amino]phenyl]-3-(3-methylphenyl)prop-2-enamide
CID 35334560
N-(3-tert-butylphenyl)-2-methoxyacetamide
CID 59139856
methyl 3-[[3-[4-(dimethylamino)anilino]-3-oxopropanoyl]amino]benzoate
CID 108956329
N-[3-[(E)-3-(2,4-dioxo-1H-quinolin-3-yl)-3-oxoprop-1-enyl]phenyl]-2-methoxyacetamide
CID 11603276
[2-[4-(dimethylamino)anilino]-2-oxoethyl] (E)-3-(3-nitrophenyl)prop-2-enoate
CID 2567847
N-(3-formylphenyl)-2-[(2-methylpropan-2-yl)oxy]acetamide
CID 106912441
N-[3-(N-hydroxy-C-methylcarbonimidoyl)phenyl]-2-methoxyacetamide
CID 60732546

Frequently Asked Questions

What is the IUPAC name of N-[3-[(E)-2-[4-(dimethylamino)phenyl]ethenyl]phenyl]-2-methoxyacetamide?
The IUPAC name of N-[3-[(E)-2-[4-(dimethylamino)phenyl]ethenyl]phenyl]-2-methoxyacetamide (CID 174721053) is N-[3-[(E)-2-[4-(dimethylamino)phenyl]ethenyl]phenyl]-2-methoxyacetamide.
What is the SMILES notation for N-[3-[(E)-2-[4-(dimethylamino)phenyl]ethenyl]phenyl]-2-methoxyacetamide?
The canonical SMILES for N-[3-[(E)-2-[4-(dimethylamino)phenyl]ethenyl]phenyl]-2-methoxyacetamide is COCC(=O)Nc1cccc(/C=C/c2ccc(N(C)C)cc2)c1.
What is the InChIKey of N-[3-[(E)-2-[4-(dimethylamino)phenyl]ethenyl]phenyl]-2-methoxyacetamide?
The InChIKey is LAWAEOLPXKNVAQ-BQYQJAHWSA-N. The full InChI is InChI=1S/C19H22N2O2/c1-21(2)18-11-9-15(10-12-18)7-8-16-5-4-6-17(13-16)20-19(22)14-23-3/h4-13H,14H2,1-3H3,(H,20,22)/b8-7+.
What are the key properties of N-[3-[(E)-2-[4-(dimethylamino)phenyl]ethenyl]phenyl]-2-methoxyacetamide?
N-[3-[(E)-2-[4-(dimethylamino)phenyl]ethenyl]phenyl]-2-methoxyacetamide has a molecular weight of 310.40 g/mol, XLogP of 3.51, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[(E)-2-[4-(dimethylamino)phenyl]ethenyl]phenyl]-2-methoxyacetamide is sourced from PubChem (CID 174721053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).