2-(2,4-dimethoxyphenyl)prop-2-enamide

C11H13NO3 — CID 174817497

IUPAC2-(2,4-dimethoxyphenyl)prop-2-enamide
SMILESC=C(C(N)=O)c1ccc(OC)cc1OC
InChIInChI=1S/C11H13NO3/c1-7(11(12)13)9-5-4-8(14-2)6-10(9)15-3/h4-6H,1H2,2-3H3,(H2,12,13)
InChIKeyUFBVBRLWHXSOIM-UHFFFAOYSA-N
MW207.23 g/mol
LogP1.20
Rot. Bonds4

About 2-(2,4-dimethoxyphenyl)prop-2-enamide

2-(2,4-dimethoxyphenyl)prop-2-enamide (PubChem CID 174817497) has the molecular formula C11H13NO3 and a molecular weight of 207.23 g/mol. Its IUPAC name is 2-(2,4-dimethoxyphenyl)prop-2-enamide.

Molecular Properties

Compound Name2-(2,4-dimethoxyphenyl)prop-2-enamide
PubChem CID174817497
Molecular FormulaC11H13NO3
Molecular Weight207.23 g/mol
Exact Mass207.09
IUPAC Name2-(2,4-dimethoxyphenyl)prop-2-enamide
SMILESC=C(C(N)=O)c1ccc(OC)cc1OC
InChIInChI=1S/C11H13NO3/c1-7(11(12)13)9-5-4-8(14-2)6-10(9)15-3/h4-6H,1H2,2-3H3,(H2,12,13)
InChIKeyUFBVBRLWHXSOIM-UHFFFAOYSA-N
XLogP1.20
TPSA61.55 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.23
LogP ≤ 51.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

methyl 2-(2,4-dimethoxyphenyl)prop-2-enoate
CID 116843206
2-[4-methoxy-2-(2-methoxyphenyl)phenyl]prop-2-enamide
CID 175887500
2-(2-methoxyphenyl)prop-2-enamide
CID 67011938
2,4-dimethoxybenzoic acid
CID 7052
2,4-dimethoxybenzoic acid
CID 67450326
2,4-dimethoxybenzoate
CID 6947027
4-(2,4-dimethoxyphenyl)-4-oxobutanamide
CID 56984225
3-amino-1-(2,4-dimethoxyphenyl)propan-1-one
CID 93183350
(2,4-dimethoxybenzoyl)oxycarbonyl 2,4-dimethoxybenzoate
CID 171476388
(4-acetyloxyphenyl) 2,4-dimethoxybenzoate
CID 59769025
2,4-dimethoxybenzenecarboximidamide
CID 4138242
1-(2,4-dimethoxyphenyl)-2-(2-hydroxy-4-methoxyphenyl)ethane-1,2-dione
CID 14018354

Frequently Asked Questions

What is the IUPAC name of 2-(2,4-dimethoxyphenyl)prop-2-enamide?
The IUPAC name of 2-(2,4-dimethoxyphenyl)prop-2-enamide (CID 174817497) is 2-(2,4-dimethoxyphenyl)prop-2-enamide.
What is the SMILES notation for 2-(2,4-dimethoxyphenyl)prop-2-enamide?
The canonical SMILES for 2-(2,4-dimethoxyphenyl)prop-2-enamide is C=C(C(N)=O)c1ccc(OC)cc1OC.
What is the InChIKey of 2-(2,4-dimethoxyphenyl)prop-2-enamide?
The InChIKey is UFBVBRLWHXSOIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13NO3/c1-7(11(12)13)9-5-4-8(14-2)6-10(9)15-3/h4-6H,1H2,2-3H3,(H2,12,13).
What are the key properties of 2-(2,4-dimethoxyphenyl)prop-2-enamide?
2-(2,4-dimethoxyphenyl)prop-2-enamide has a molecular weight of 207.23 g/mol, XLogP of 1.20, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-dimethoxyphenyl)prop-2-enamide is sourced from PubChem (CID 174817497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).