N-(4-hydroxy-3,5-dimethoxyphenyl)prop-2-enamide

C11H13NO4 — CID 174817495

IUPACN-(4-hydroxy-3,5-dimethoxyphenyl)prop-2-enamide
SMILESC=CC(=O)Nc1cc(OC)c(O)c(OC)c1
InChIInChI=1S/C11H13NO4/c1-4-10(13)12-7-5-8(15-2)11(14)9(6-7)16-3/h4-6,14H,1H2,2-3H3,(H,12,13)
InChIKeyGXDCSBDLRDZJPA-UHFFFAOYSA-N
MW223.23 g/mol
LogP1.53
Rot. Bonds4

About N-(4-hydroxy-3,5-dimethoxyphenyl)prop-2-enamide

N-(4-hydroxy-3,5-dimethoxyphenyl)prop-2-enamide (PubChem CID 174817495) has the molecular formula C11H13NO4 and a molecular weight of 223.23 g/mol. Its IUPAC name is N-(4-hydroxy-3,5-dimethoxyphenyl)prop-2-enamide.

Molecular Properties

Compound NameN-(4-hydroxy-3,5-dimethoxyphenyl)prop-2-enamide
PubChem CID174817495
Molecular FormulaC11H13NO4
Molecular Weight223.23 g/mol
Exact Mass223.08
IUPAC NameN-(4-hydroxy-3,5-dimethoxyphenyl)prop-2-enamide
SMILESC=CC(=O)Nc1cc(OC)c(O)c(OC)c1
InChIInChI=1S/C11H13NO4/c1-4-10(13)12-7-5-8(15-2)11(14)9(6-7)16-3/h4-6,14H,1H2,2-3H3,(H,12,13)
InChIKeyGXDCSBDLRDZJPA-UHFFFAOYSA-N
XLogP1.53
TPSA67.79 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.23
LogP ≤ 51.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[4-(difluoromethoxy)-3-methoxyphenyl]prop-2-enamide
CID 139018845
[4-(prop-2-enoylamino)phenyl]mercury
CID 67534138
N-(3-methoxyphenyl)prop-2-enamide
CID 4069606
N-(2,5-dimethoxyphenyl)prop-2-enamide
CID 881958
N-(4-chloro-2,5-dimethoxyphenyl)prop-2-enamide
CID 43616303
N-(3,4-diethoxyphenyl)prop-2-enamide
CID 43616319
N-[4-(4-methoxyphenoxy)phenyl]prop-2-enamide
CID 135290524
1-(4-hydroxy-3,5-dimethoxyphenyl)penta-1,4-dien-3-one
CID 68601857
4-hydrazinyl-2,6-dimethoxyphenol
CID 57195955
4-methoxy-3-(prop-2-enoylamino)benzoic acid
CID 63742238
N-(4-acetyl-3,5-dimethylphenyl)prop-2-enamide
CID 139018868
N-(2-methoxyphenyl)-4-(prop-2-enoylamino)benzamide
CID 166403508

Frequently Asked Questions

What is the IUPAC name of N-(4-hydroxy-3,5-dimethoxyphenyl)prop-2-enamide?
The IUPAC name of N-(4-hydroxy-3,5-dimethoxyphenyl)prop-2-enamide (CID 174817495) is N-(4-hydroxy-3,5-dimethoxyphenyl)prop-2-enamide.
What is the SMILES notation for N-(4-hydroxy-3,5-dimethoxyphenyl)prop-2-enamide?
The canonical SMILES for N-(4-hydroxy-3,5-dimethoxyphenyl)prop-2-enamide is C=CC(=O)Nc1cc(OC)c(O)c(OC)c1.
What is the InChIKey of N-(4-hydroxy-3,5-dimethoxyphenyl)prop-2-enamide?
The InChIKey is GXDCSBDLRDZJPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13NO4/c1-4-10(13)12-7-5-8(15-2)11(14)9(6-7)16-3/h4-6,14H,1H2,2-3H3,(H,12,13).
What are the key properties of N-(4-hydroxy-3,5-dimethoxyphenyl)prop-2-enamide?
N-(4-hydroxy-3,5-dimethoxyphenyl)prop-2-enamide has a molecular weight of 223.23 g/mol, XLogP of 1.53, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-hydroxy-3,5-dimethoxyphenyl)prop-2-enamide is sourced from PubChem (CID 174817495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).