(E)-N-(2-hydroxy-3-phenylpropyl)-3-(3-methoxyphenyl)but-2-enamide

C20H23NO3 — CID 111911976

IUPAC(E)-N-(2-hydroxy-3-phenylpropyl)-3-(3-methoxyphenyl)but-2-enamide
SMILESCOc1cccc(/C(C)=C/C(=O)NCC(O)Cc2ccccc2)c1
InChIInChI=1S/C20H23NO3/c1-15(17-9-6-10-19(13-17)24-2)11-20(23)21-14-18(22)12-16-7-4-3-5-8-16/h3-11,13,18,22H,12,14H2,1-2H3,(H,21,23)/b15-11+
InChIKeyADTQSXSWTXSUGI-RVDMUPIBSA-N
MW325.41 g/mol
LogP2.82
Rot. Bonds7

About (E)-N-(2-hydroxy-3-phenylpropyl)-3-(3-methoxyphenyl)but-2-enamide

(E)-N-(2-hydroxy-3-phenylpropyl)-3-(3-methoxyphenyl)but-2-enamide (PubChem CID 111911976) has the molecular formula C20H23NO3 and a molecular weight of 325.41 g/mol. Its IUPAC name is (E)-N-(2-hydroxy-3-phenylpropyl)-3-(3-methoxyphenyl)but-2-enamide.

Molecular Properties

Compound Name(E)-N-(2-hydroxy-3-phenylpropyl)-3-(3-methoxyphenyl)but-2-enamide
PubChem CID111911976
Molecular FormulaC20H23NO3
Molecular Weight325.41 g/mol
Exact Mass325.17
IUPAC Name(E)-N-(2-hydroxy-3-phenylpropyl)-3-(3-methoxyphenyl)but-2-enamide
SMILESCOc1cccc(/C(C)=C/C(=O)NCC(O)Cc2ccccc2)c1
InChIInChI=1S/C20H23NO3/c1-15(17-9-6-10-19(13-17)24-2)11-20(23)21-14-18(22)12-16-7-4-3-5-8-16/h3-11,13,18,22H,12,14H2,1-2H3,(H,21,23)/b15-11+
InChIKeyADTQSXSWTXSUGI-RVDMUPIBSA-N
XLogP2.82
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.41
LogP ≤ 52.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(E)-N-[2-(2-fluorophenyl)-2-hydroxyethyl]-3-(3-methoxyphenyl)but-2-enamide
CID 111912079
(E)-N-(2-hydroxy-2-thiophen-3-ylethyl)-3-(3-methoxyphenyl)but-2-enamide
CID 111912016
N-(2-hydroxy-3-phenylpropyl)-2-(3-methoxyphenyl)acetamide
CID 90534339
(E)-N-(3-hydroxybutyl)-3-(3-methoxyphenyl)but-2-enamide
CID 111911961
N-(2-hydroxy-3-phenylpropyl)-3,5-dimethoxybenzamide
CID 56765275
(E)-N-(3-hydroxy-4-methylpentyl)-3-(3-methoxyphenyl)but-2-enamide
CID 111912040
N-(2-hydroxy-3-phenylpropyl)-3-(3-methoxyphenyl)propanamide
CID 111102377
N-[(2S)-2-hydroxy-3-phenylpropyl]-3-methoxy-N-methylbenzamide
CID 125143767
N-(2-hydroxy-3-phenylpropyl)-3-propoxybenzamide
CID 111102702
N-[(4-hydroxy-3-methoxyphenyl)methyl]-3-(3-methoxyphenyl)but-2-enamide
CID 71860116
N-[(2S)-2-hydroxy-3-phenylpropyl]acetamide
CID 95367778
3-(3-fluorophenyl)-N-[2-hydroxy-3-(2-methylpropoxy)propyl]but-2-enamide
CID 111697749

Frequently Asked Questions

What is the IUPAC name of (E)-N-(2-hydroxy-3-phenylpropyl)-3-(3-methoxyphenyl)but-2-enamide?
The IUPAC name of (E)-N-(2-hydroxy-3-phenylpropyl)-3-(3-methoxyphenyl)but-2-enamide (CID 111911976) is (E)-N-(2-hydroxy-3-phenylpropyl)-3-(3-methoxyphenyl)but-2-enamide.
What is the SMILES notation for (E)-N-(2-hydroxy-3-phenylpropyl)-3-(3-methoxyphenyl)but-2-enamide?
The canonical SMILES for (E)-N-(2-hydroxy-3-phenylpropyl)-3-(3-methoxyphenyl)but-2-enamide is COc1cccc(/C(C)=C/C(=O)NCC(O)Cc2ccccc2)c1.
What is the InChIKey of (E)-N-(2-hydroxy-3-phenylpropyl)-3-(3-methoxyphenyl)but-2-enamide?
The InChIKey is ADTQSXSWTXSUGI-RVDMUPIBSA-N. The full InChI is InChI=1S/C20H23NO3/c1-15(17-9-6-10-19(13-17)24-2)11-20(23)21-14-18(22)12-16-7-4-3-5-8-16/h3-11,13,18,22H,12,14H2,1-2H3,(H,21,23)/b15-11+.
What are the key properties of (E)-N-(2-hydroxy-3-phenylpropyl)-3-(3-methoxyphenyl)but-2-enamide?
(E)-N-(2-hydroxy-3-phenylpropyl)-3-(3-methoxyphenyl)but-2-enamide has a molecular weight of 325.41 g/mol, XLogP of 2.82, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-(2-hydroxy-3-phenylpropyl)-3-(3-methoxyphenyl)but-2-enamide is sourced from PubChem (CID 111911976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).