N-[(4-hydroxy-3-methoxyphenyl)methyl]-3-(3-methoxyphenyl)but-2-enamide

C19H21NO4 — CID 71860116

IUPACN-[(4-hydroxy-3-methoxyphenyl)methyl]-3-(3-methoxyphenyl)but-2-enamide
SMILESCOc1cccc(C(C)=CC(=O)NCc2ccc(O)c(OC)c2)c1
InChIInChI=1S/C19H21NO4/c1-13(15-5-4-6-16(11-15)23-2)9-19(22)20-12-14-7-8-17(21)18(10-14)24-3/h4-11,21H,12H2,1-3H3,(H,20,22)
InChIKeyCBZRRVKRMXTETG-UHFFFAOYSA-N
MW327.38 g/mol
LogP3.13
Rot. Bonds6

About N-[(4-hydroxy-3-methoxyphenyl)methyl]-3-(3-methoxyphenyl)but-2-enamide

N-[(4-hydroxy-3-methoxyphenyl)methyl]-3-(3-methoxyphenyl)but-2-enamide (PubChem CID 71860116) has the molecular formula C19H21NO4 and a molecular weight of 327.38 g/mol. Its IUPAC name is N-[(4-hydroxy-3-methoxyphenyl)methyl]-3-(3-methoxyphenyl)but-2-enamide.

Molecular Properties

Compound NameN-[(4-hydroxy-3-methoxyphenyl)methyl]-3-(3-methoxyphenyl)but-2-enamide
PubChem CID71860116
Molecular FormulaC19H21NO4
Molecular Weight327.38 g/mol
Exact Mass327.15
IUPAC NameN-[(4-hydroxy-3-methoxyphenyl)methyl]-3-(3-methoxyphenyl)but-2-enamide
SMILESCOc1cccc(C(C)=CC(=O)NCc2ccc(O)c(OC)c2)c1
InChIInChI=1S/C19H21NO4/c1-13(15-5-4-6-16(11-15)23-2)9-19(22)20-12-14-7-8-17(21)18(10-14)24-3/h4-11,21H,12H2,1-3H3,(H,20,22)
InChIKeyCBZRRVKRMXTETG-UHFFFAOYSA-N
XLogP3.13
TPSA67.79 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.38
LogP ≤ 53.13
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

N-[(3,4-dimethoxyphenyl)methyl]-3-(3-nitrophenyl)but-2-enamide
CID 57309385
(E)-N-(3-hydroxybutyl)-3-(3-methoxyphenyl)but-2-enamide
CID 111911961
(E)-N-(2-hydroxy-3-phenylpropyl)-3-(3-methoxyphenyl)but-2-enamide
CID 111911976
(E)-N-(3-hydroxy-4-methylpentyl)-3-(3-methoxyphenyl)but-2-enamide
CID 111912040
(E)-N-[(4-hydroxy-3-methoxyphenyl)methyl]-3-(4-hydroxyphenyl)prop-2-enamide
CID 66805144
N-[(4-hydroxy-3-methoxyphenyl)methyl]-3-(4-hydroxyphenyl)benzamide
CID 74233285
(E)-N-[2-(2-fluorophenyl)-2-hydroxyethyl]-3-(3-methoxyphenyl)but-2-enamide
CID 111912079
N-[(3-hydroxyphenyl)methyl]-3-methoxybenzamide
CID 47292174
3-[(4-hydroxy-3-methoxyphenyl)methylamino]benzoic acid
CID 43217223
(E)-N-(2-hydroxy-2-thiophen-3-ylethyl)-3-(3-methoxyphenyl)but-2-enamide
CID 111912016
2-[3-[(4-hydroxy-3-methoxyphenyl)methylcarbamoyl]anilino]acetic acid
CID 46999868
N-[(3,4-dihydroxyphenyl)methyl]-2-(4-hydroxy-3-methoxyphenyl)acetamide
CID 10063540

Frequently Asked Questions

What is the IUPAC name of N-[(4-hydroxy-3-methoxyphenyl)methyl]-3-(3-methoxyphenyl)but-2-enamide?
The IUPAC name of N-[(4-hydroxy-3-methoxyphenyl)methyl]-3-(3-methoxyphenyl)but-2-enamide (CID 71860116) is N-[(4-hydroxy-3-methoxyphenyl)methyl]-3-(3-methoxyphenyl)but-2-enamide.
What is the SMILES notation for N-[(4-hydroxy-3-methoxyphenyl)methyl]-3-(3-methoxyphenyl)but-2-enamide?
The canonical SMILES for N-[(4-hydroxy-3-methoxyphenyl)methyl]-3-(3-methoxyphenyl)but-2-enamide is COc1cccc(C(C)=CC(=O)NCc2ccc(O)c(OC)c2)c1.
What is the InChIKey of N-[(4-hydroxy-3-methoxyphenyl)methyl]-3-(3-methoxyphenyl)but-2-enamide?
The InChIKey is CBZRRVKRMXTETG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21NO4/c1-13(15-5-4-6-16(11-15)23-2)9-19(22)20-12-14-7-8-17(21)18(10-14)24-3/h4-11,21H,12H2,1-3H3,(H,20,22).
What are the key properties of N-[(4-hydroxy-3-methoxyphenyl)methyl]-3-(3-methoxyphenyl)but-2-enamide?
N-[(4-hydroxy-3-methoxyphenyl)methyl]-3-(3-methoxyphenyl)but-2-enamide has a molecular weight of 327.38 g/mol, XLogP of 3.13, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-hydroxy-3-methoxyphenyl)methyl]-3-(3-methoxyphenyl)but-2-enamide is sourced from PubChem (CID 71860116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).