(E)-N,N-dimethyl-3-(2-phenylmethoxyphenyl)prop-2-enamide

C18H19NO2 — CID 15255199

IUPAC(E)-N,N-dimethyl-3-(2-phenylmethoxyphenyl)prop-2-enamide
SMILESCN(C)C(=O)/C=C/c1ccccc1OCc1ccccc1
InChIInChI=1S/C18H19NO2/c1-19(2)18(20)13-12-16-10-6-7-11-17(16)21-14-15-8-4-3-5-9-15/h3-13H,14H2,1-2H3/b13-12+
InChIKeyXZFHVWBGUSKTEK-OUKQBFOZSA-N
MW281.36 g/mol
LogP3.37
Rot. Bonds5

About (E)-N,N-dimethyl-3-(2-phenylmethoxyphenyl)prop-2-enamide

(E)-N,N-dimethyl-3-(2-phenylmethoxyphenyl)prop-2-enamide (PubChem CID 15255199) has the molecular formula C18H19NO2 and a molecular weight of 281.36 g/mol. Its IUPAC name is (E)-N,N-dimethyl-3-(2-phenylmethoxyphenyl)prop-2-enamide.

Molecular Properties

Compound Name(E)-N,N-dimethyl-3-(2-phenylmethoxyphenyl)prop-2-enamide
PubChem CID15255199
Molecular FormulaC18H19NO2
Molecular Weight281.36 g/mol
Exact Mass281.14
IUPAC Name(E)-N,N-dimethyl-3-(2-phenylmethoxyphenyl)prop-2-enamide
SMILESCN(C)C(=O)/C=C/c1ccccc1OCc1ccccc1
InChIInChI=1S/C18H19NO2/c1-19(2)18(20)13-12-16-10-6-7-11-17(16)21-14-15-8-4-3-5-9-15/h3-13H,14H2,1-2H3/b13-12+
InChIKeyXZFHVWBGUSKTEK-OUKQBFOZSA-N
XLogP3.37
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.36
LogP ≤ 53.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

3-(2-ethoxyphenyl)-N,N-dimethylprop-2-enamide
CID 76872157
(E)-3-[2-[(E)-2-(2-phenylmethoxyphenyl)ethenyl]phenyl]prop-2-enoic acid
CID 11210487
3-[2-(pyridin-4-ylmethoxy)phenyl]prop-2-enoic acid
CID 53405811
6-methyl-3-[3-(2-phenylmethoxyphenyl)prop-2-enoyl]pyran-2,4-dione
CID 5144938
3-[2-[(3-fluorophenyl)methoxy]phenyl]prop-2-enoic acid
CID 5116496
(E)-1-(2-hydroxy-4-methoxyphenyl)-3-(2-phenylmethoxyphenyl)prop-2-en-1-one
CID 15887380
(E)-3-(2-ethoxyphenyl)-N-phenylmethoxyprop-2-enamide
CID 9227551
3-bromo-4-[(E)-2-(2-phenylmethoxyphenyl)ethenyl]benzoic acid
CID 18973994
1-[(E)-3-methoxyprop-1-enyl]-2-phenylmethoxybenzene
CID 141153836
4-(2-phenylmethoxyphenyl)but-3-en-1-ol
CID 54307612
4-hydroxy-6-methyl-3-[(E)-3-(2-phenylmethoxyphenyl)prop-2-enoyl]pyran-2-one
CID 135708428
4-hydroxy-3-[(E)-3-(2-phenylmethoxyphenyl)prop-2-enoyl]benzoic acid
CID 10714433

Frequently Asked Questions

What is the IUPAC name of (E)-N,N-dimethyl-3-(2-phenylmethoxyphenyl)prop-2-enamide?
The IUPAC name of (E)-N,N-dimethyl-3-(2-phenylmethoxyphenyl)prop-2-enamide (CID 15255199) is (E)-N,N-dimethyl-3-(2-phenylmethoxyphenyl)prop-2-enamide.
What is the SMILES notation for (E)-N,N-dimethyl-3-(2-phenylmethoxyphenyl)prop-2-enamide?
The canonical SMILES for (E)-N,N-dimethyl-3-(2-phenylmethoxyphenyl)prop-2-enamide is CN(C)C(=O)/C=C/c1ccccc1OCc1ccccc1.
What is the InChIKey of (E)-N,N-dimethyl-3-(2-phenylmethoxyphenyl)prop-2-enamide?
The InChIKey is XZFHVWBGUSKTEK-OUKQBFOZSA-N. The full InChI is InChI=1S/C18H19NO2/c1-19(2)18(20)13-12-16-10-6-7-11-17(16)21-14-15-8-4-3-5-9-15/h3-13H,14H2,1-2H3/b13-12+.
What are the key properties of (E)-N,N-dimethyl-3-(2-phenylmethoxyphenyl)prop-2-enamide?
(E)-N,N-dimethyl-3-(2-phenylmethoxyphenyl)prop-2-enamide has a molecular weight of 281.36 g/mol, XLogP of 3.37, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N,N-dimethyl-3-(2-phenylmethoxyphenyl)prop-2-enamide is sourced from PubChem (CID 15255199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).