(E)-3-(3-hydroxy-4-methoxyphenyl)-N-(3-phenylmethoxyphenyl)prop-2-enamide

C23H21NO4 — CID 45376472

IUPAC(E)-3-(3-hydroxy-4-methoxyphenyl)-N-(3-phenylmethoxyphenyl)prop-2-enamide
SMILESCOc1ccc(/C=C/C(=O)Nc2cccc(OCc3ccccc3)c2)cc1O
InChIInChI=1S/C23H21NO4/c1-27-22-12-10-17(14-21(22)25)11-13-23(26)24-19-8-5-9-20(15-19)28-16-18-6-3-2-4-7-18/h2-15,25H,16H2,1H3,(H,24,26)/b13-11+
InChIKeyLIXJNYWAFUWMPI-ACCUITESSA-N
MW375.42 g/mol
LogP4.63
Rot. Bonds7

About (E)-3-(3-hydroxy-4-methoxyphenyl)-N-(3-phenylmethoxyphenyl)prop-2-enamide

(E)-3-(3-hydroxy-4-methoxyphenyl)-N-(3-phenylmethoxyphenyl)prop-2-enamide (PubChem CID 45376472) has the molecular formula C23H21NO4 and a molecular weight of 375.42 g/mol. Its IUPAC name is (E)-3-(3-hydroxy-4-methoxyphenyl)-N-(3-phenylmethoxyphenyl)prop-2-enamide.

Molecular Properties

Compound Name(E)-3-(3-hydroxy-4-methoxyphenyl)-N-(3-phenylmethoxyphenyl)prop-2-enamide
PubChem CID45376472
Molecular FormulaC23H21NO4
Molecular Weight375.42 g/mol
Exact Mass375.15
IUPAC Name(E)-3-(3-hydroxy-4-methoxyphenyl)-N-(3-phenylmethoxyphenyl)prop-2-enamide
SMILESCOc1ccc(/C=C/C(=O)Nc2cccc(OCc3ccccc3)c2)cc1O
InChIInChI=1S/C23H21NO4/c1-27-22-12-10-17(14-21(22)25)11-13-23(26)24-19-8-5-9-20(15-19)28-16-18-6-3-2-4-7-18/h2-15,25H,16H2,1H3,(H,24,26)/b13-11+
InChIKeyLIXJNYWAFUWMPI-ACCUITESSA-N
XLogP4.63
TPSA67.79 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.42
LogP ≤ 54.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-(3-hydroxy-4-methoxyphenyl)-2-methyl-N-(3-phenylmethoxyphenyl)prop-2-enamide
CID 91476700
(E)-N-(3-chlorophenyl)-3-(3-hydroxy-4-methoxyphenyl)prop-2-enamide
CID 45376337
N-(2-fluoro-4,5-dimethoxyphenyl)-3-(3-phenylmethoxyphenyl)prop-2-enamide
CID 72688755
(E)-4-(3-hydroxy-4-methoxyphenyl)-1-[3-(pyridin-4-ylmethoxy)phenyl]but-3-en-2-one
CID 58387279
(E)-3-(3-hydroxy-4-methoxyphenyl)-N-[3-(trifluoromethyl)phenyl]prop-2-enamide
CID 45376474
N-[5-chloro-2-(phenoxymethyl)phenyl]-3-(3-hydroxy-4-methoxyphenyl)prop-2-enamide
CID 67337593
3-[4-[(2,6-dichlorophenyl)methoxy]-3-methoxyphenyl]-N-(4-phenylmethoxyphenyl)prop-2-enamide
CID 4132325
(E)-N-(4-ethylphenyl)-3-(3-methoxy-4-phenylmethoxyphenyl)prop-2-enamide
CID 1188948
(E)-3-(3,4-dihydroxyphenyl)-N-[3-methoxy-4-(2-phenylethoxy)phenyl]prop-2-enamide
CID 176849448
3-(3-hydroxy-4-methoxyphenyl)-N-[2-[[3-(trifluoromethyl)phenoxy]methyl]phenyl]prop-2-enamide
CID 67340064
(E)-N-(3-ethoxyphenyl)-3-(3-methoxy-4-propoxyphenyl)prop-2-enamide
CID 60533788
N-[3-chloro-2-(pyridin-4-ylmethoxy)phenyl]-3-(3-hydroxy-4-methoxyphenyl)prop-2-enamide
CID 67338115

Frequently Asked Questions

What is the IUPAC name of (E)-3-(3-hydroxy-4-methoxyphenyl)-N-(3-phenylmethoxyphenyl)prop-2-enamide?
The IUPAC name of (E)-3-(3-hydroxy-4-methoxyphenyl)-N-(3-phenylmethoxyphenyl)prop-2-enamide (CID 45376472) is (E)-3-(3-hydroxy-4-methoxyphenyl)-N-(3-phenylmethoxyphenyl)prop-2-enamide.
What is the SMILES notation for (E)-3-(3-hydroxy-4-methoxyphenyl)-N-(3-phenylmethoxyphenyl)prop-2-enamide?
The canonical SMILES for (E)-3-(3-hydroxy-4-methoxyphenyl)-N-(3-phenylmethoxyphenyl)prop-2-enamide is COc1ccc(/C=C/C(=O)Nc2cccc(OCc3ccccc3)c2)cc1O.
What is the InChIKey of (E)-3-(3-hydroxy-4-methoxyphenyl)-N-(3-phenylmethoxyphenyl)prop-2-enamide?
The InChIKey is LIXJNYWAFUWMPI-ACCUITESSA-N. The full InChI is InChI=1S/C23H21NO4/c1-27-22-12-10-17(14-21(22)25)11-13-23(26)24-19-8-5-9-20(15-19)28-16-18-6-3-2-4-7-18/h2-15,25H,16H2,1H3,(H,24,26)/b13-11+.
What are the key properties of (E)-3-(3-hydroxy-4-methoxyphenyl)-N-(3-phenylmethoxyphenyl)prop-2-enamide?
(E)-3-(3-hydroxy-4-methoxyphenyl)-N-(3-phenylmethoxyphenyl)prop-2-enamide has a molecular weight of 375.42 g/mol, XLogP of 4.63, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(3-hydroxy-4-methoxyphenyl)-N-(3-phenylmethoxyphenyl)prop-2-enamide is sourced from PubChem (CID 45376472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).