azane;3-(2-ethyl-3,4-dimethoxyphenyl)prop-2-enamide

C13H20N2O3 — CID 174556728

IUPACazane;3-(2-ethyl-3,4-dimethoxyphenyl)prop-2-enamide
SMILESCCc1c(C=CC(N)=O)ccc(OC)c1OC.N
InChIInChI=1S/C13H17NO3.H3N/c1-4-10-9(6-8-12(14)15)5-7-11(16-2)13(10)17-3;/h5-8H,4H2,1-3H3,(H2,14,15);1H3
InChIKeyHBMAWJBLUOFNJT-UHFFFAOYSA-N
MW252.31 g/mol
LogP1.93
Rot. Bonds5

About azane;3-(2-ethyl-3,4-dimethoxyphenyl)prop-2-enamide

azane;3-(2-ethyl-3,4-dimethoxyphenyl)prop-2-enamide (PubChem CID 174556728) has the molecular formula C13H20N2O3 and a molecular weight of 252.31 g/mol. Its IUPAC name is azane;3-(2-ethyl-3,4-dimethoxyphenyl)prop-2-enamide.

Molecular Properties

Compound Nameazane;3-(2-ethyl-3,4-dimethoxyphenyl)prop-2-enamide
PubChem CID174556728
Molecular FormulaC13H20N2O3
Molecular Weight252.31 g/mol
Exact Mass252.15
IUPAC Nameazane;3-(2-ethyl-3,4-dimethoxyphenyl)prop-2-enamide
SMILESCCc1c(C=CC(N)=O)ccc(OC)c1OC.N
InChIInChI=1S/C13H17NO3.H3N/c1-4-10-9(6-8-12(14)15)5-7-11(16-2)13(10)17-3;/h5-8H,4H2,1-3H3,(H2,14,15);1H3
InChIKeyHBMAWJBLUOFNJT-UHFFFAOYSA-N
XLogP1.93
TPSA96.55 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.31
LogP ≤ 51.93
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

ethyl (E)-3-(2-ethyl-3-fluoro-4-methoxyphenyl)prop-2-enoate
CID 58566362
3-(2-methoxynaphthalen-1-yl)prop-2-enamide
CID 169482467
3-(2-amino-3,4-dimethoxyphenyl)prop-2-enoic acid
CID 139751034
N-ethyl-3-(2,3,4-trimethoxyphenyl)prop-2-enamide
CID 3905301
ethane;2-(2-ethyl-3,4-dimethoxyphenyl)butanamide
CID 143569766
3-(4-cyano-2-methoxyphenyl)prop-2-enamide
CID 169482899
3-(3-ethyl-2-hexyl-4-methoxyphenyl)prop-2-enoic acid
CID 66719904
2-amino-2-(2-ethyl-3,4-dimethoxyphenyl)acetic acid
CID 117350529
(E)-3-(2-propoxyphenyl)prop-2-enamide
CID 82040605
(E)-1-[2,3-dimethoxy-6-[(Z)-2-(3,4,5-trimethoxyphenyl)ethenyl]phenyl]pent-3-en-2-one
CID 161061474
(E)-3-(2,3-dimethoxyphenyl)-1-(4-ethylphenyl)prop-2-en-1-one
CID 9448295
3-(2-chloro-3,4-dimethoxyphenyl)prop-2-enehydrazide
CID 2774974

Frequently Asked Questions

What is the IUPAC name of azane;3-(2-ethyl-3,4-dimethoxyphenyl)prop-2-enamide?
The IUPAC name of azane;3-(2-ethyl-3,4-dimethoxyphenyl)prop-2-enamide (CID 174556728) is azane;3-(2-ethyl-3,4-dimethoxyphenyl)prop-2-enamide.
What is the SMILES notation for azane;3-(2-ethyl-3,4-dimethoxyphenyl)prop-2-enamide?
The canonical SMILES for azane;3-(2-ethyl-3,4-dimethoxyphenyl)prop-2-enamide is CCc1c(C=CC(N)=O)ccc(OC)c1OC.N.
What is the InChIKey of azane;3-(2-ethyl-3,4-dimethoxyphenyl)prop-2-enamide?
The InChIKey is HBMAWJBLUOFNJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NO3.H3N/c1-4-10-9(6-8-12(14)15)5-7-11(16-2)13(10)17-3;/h5-8H,4H2,1-3H3,(H2,14,15);1H3.
What are the key properties of azane;3-(2-ethyl-3,4-dimethoxyphenyl)prop-2-enamide?
azane;3-(2-ethyl-3,4-dimethoxyphenyl)prop-2-enamide has a molecular weight of 252.31 g/mol, XLogP of 1.93, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for azane;3-(2-ethyl-3,4-dimethoxyphenyl)prop-2-enamide is sourced from PubChem (CID 174556728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).