(E)-3-amino-5-(4-hydroxy-3,5-dimethoxyphenyl)pent-4-enamide

C13H18N2O4 — CID 170875955

IUPAC(E)-3-amino-5-(4-hydroxy-3,5-dimethoxyphenyl)pent-4-enamide
SMILESCOc1cc(/C=C/C(N)CC(N)=O)cc(OC)c1O
InChIInChI=1S/C13H18N2O4/c1-18-10-5-8(6-11(19-2)13(10)17)3-4-9(14)7-12(15)16/h3-6,9,17H,7,14H2,1-2H3,(H2,15,16)/b4-3+
InChIKeyBMHYTCZXPBDOQI-ONEGZZNKSA-N
MW266.30 g/mol
LogP0.63
Rot. Bonds6

About (E)-3-amino-5-(4-hydroxy-3,5-dimethoxyphenyl)pent-4-enamide

(E)-3-amino-5-(4-hydroxy-3,5-dimethoxyphenyl)pent-4-enamide (PubChem CID 170875955) has the molecular formula C13H18N2O4 and a molecular weight of 266.30 g/mol. Its IUPAC name is (E)-3-amino-5-(4-hydroxy-3,5-dimethoxyphenyl)pent-4-enamide.

Molecular Properties

Compound Name(E)-3-amino-5-(4-hydroxy-3,5-dimethoxyphenyl)pent-4-enamide
PubChem CID170875955
Molecular FormulaC13H18N2O4
Molecular Weight266.30 g/mol
Exact Mass266.13
IUPAC Name(E)-3-amino-5-(4-hydroxy-3,5-dimethoxyphenyl)pent-4-enamide
SMILESCOc1cc(/C=C/C(N)CC(N)=O)cc(OC)c1O
InChIInChI=1S/C13H18N2O4/c1-18-10-5-8(6-11(19-2)13(10)17)3-4-9(14)7-12(15)16/h3-6,9,17H,7,14H2,1-2H3,(H2,15,16)/b4-3+
InChIKeyBMHYTCZXPBDOQI-ONEGZZNKSA-N
XLogP0.63
TPSA107.80 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.30
LogP ≤ 50.63
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (E)-3-amino-5-(4-hydroxy-3,5-dimethoxyphenyl)pent-4-enamide?
The IUPAC name of (E)-3-amino-5-(4-hydroxy-3,5-dimethoxyphenyl)pent-4-enamide (CID 170875955) is (E)-3-amino-5-(4-hydroxy-3,5-dimethoxyphenyl)pent-4-enamide.
What is the SMILES notation for (E)-3-amino-5-(4-hydroxy-3,5-dimethoxyphenyl)pent-4-enamide?
The canonical SMILES for (E)-3-amino-5-(4-hydroxy-3,5-dimethoxyphenyl)pent-4-enamide is COc1cc(/C=C/C(N)CC(N)=O)cc(OC)c1O.
What is the InChIKey of (E)-3-amino-5-(4-hydroxy-3,5-dimethoxyphenyl)pent-4-enamide?
The InChIKey is BMHYTCZXPBDOQI-ONEGZZNKSA-N. The full InChI is InChI=1S/C13H18N2O4/c1-18-10-5-8(6-11(19-2)13(10)17)3-4-9(14)7-12(15)16/h3-6,9,17H,7,14H2,1-2H3,(H2,15,16)/b4-3+.
What are the key properties of (E)-3-amino-5-(4-hydroxy-3,5-dimethoxyphenyl)pent-4-enamide?
(E)-3-amino-5-(4-hydroxy-3,5-dimethoxyphenyl)pent-4-enamide has a molecular weight of 266.30 g/mol, XLogP of 0.63, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-amino-5-(4-hydroxy-3,5-dimethoxyphenyl)pent-4-enamide is sourced from PubChem (CID 170875955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).