(E)-3-[4-(2-amino-2-oxoethoxy)phenyl]-N-(2-methylpropyl)prop-2-enamide

C15H20N2O3 — CID 9400445

IUPAC(E)-3-[4-(2-amino-2-oxoethoxy)phenyl]-N-(2-methylpropyl)prop-2-enamide
SMILESCC(C)CNC(=O)/C=C/c1ccc(OCC(N)=O)cc1
InChIInChI=1S/C15H20N2O3/c1-11(2)9-17-15(19)8-5-12-3-6-13(7-4-12)20-10-14(16)18/h3-8,11H,9-10H2,1-2H3,(H2,16,18)(H,17,19)/b8-5+
InChIKeyWMYMGWMUOHOHHH-VMPITWQZSA-N
MW276.34 g/mol
LogP1.34
Rot. Bonds7

About (E)-3-[4-(2-amino-2-oxoethoxy)phenyl]-N-(2-methylpropyl)prop-2-enamide

(E)-3-[4-(2-amino-2-oxoethoxy)phenyl]-N-(2-methylpropyl)prop-2-enamide (PubChem CID 9400445) has the molecular formula C15H20N2O3 and a molecular weight of 276.34 g/mol. Its IUPAC name is (E)-3-[4-(2-amino-2-oxoethoxy)phenyl]-N-(2-methylpropyl)prop-2-enamide.

Molecular Properties

Compound Name(E)-3-[4-(2-amino-2-oxoethoxy)phenyl]-N-(2-methylpropyl)prop-2-enamide
PubChem CID9400445
Molecular FormulaC15H20N2O3
Molecular Weight276.34 g/mol
Exact Mass276.15
IUPAC Name(E)-3-[4-(2-amino-2-oxoethoxy)phenyl]-N-(2-methylpropyl)prop-2-enamide
SMILESCC(C)CNC(=O)/C=C/c1ccc(OCC(N)=O)cc1
InChIInChI=1S/C15H20N2O3/c1-11(2)9-17-15(19)8-5-12-3-6-13(7-4-12)20-10-14(16)18/h3-8,11H,9-10H2,1-2H3,(H2,16,18)(H,17,19)/b8-5+
InChIKeyWMYMGWMUOHOHHH-VMPITWQZSA-N
XLogP1.34
TPSA81.42 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.34
LogP ≤ 51.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-[4-(2-amino-2-oxoethoxy)phenyl]-N-[2-(4-phenylpiperazin-1-yl)propyl]prop-2-enamide
CID 76867651
(E)-3-(4-fluorophenyl)-N-(2-methylpropyl)prop-2-enamide
CID 771161
(E)-3-[4-(2-amino-2-oxoethoxy)phenyl]-N-[1-(4-fluorophenyl)ethyl]prop-2-enamide
CID 134030570
(E)-3-[4-(2-amino-2-oxoethoxy)phenyl]-N-[2-(2-methylphenyl)ethyl]prop-2-enamide
CID 9488854
(E)-3-[4-(2-amino-2-oxoethoxy)phenyl]-N-cyclopentylprop-2-enamide
CID 134060013
3-[3-(4-ethoxyphenyl)prop-2-enoylamino]-2-methylpropanoic acid
CID 76953514
N-(1-adamantylmethyl)-3-[4-(2-amino-2-oxoethoxy)phenyl]prop-2-enamide
CID 76854345
(Z)-3-(3,4-dimethoxyphenyl)-N-(2-methylpropyl)prop-2-enamide
CID 2329661
(E)-3-[4-(2-amino-2-oxoethoxy)phenyl]-N-[4-[ethyl(propan-2-yl)amino]phenyl]prop-2-enamide
CID 134030275
2-[4-(2-amino-2-oxoethoxy)phenyl]-2-(2-methylpropylamino)acetamide
CID 60995072
[2-(2-methylpropylamino)-2-oxoethyl] (E)-3-(4-prop-2-enoxyphenyl)prop-2-enoate
CID 2613498
3-[4-(2-amino-2-oxoethoxy)phenyl]-N-[1-(4-bromophenyl)propyl]prop-2-enamide
CID 76854317

Frequently Asked Questions

What is the IUPAC name of (E)-3-[4-(2-amino-2-oxoethoxy)phenyl]-N-(2-methylpropyl)prop-2-enamide?
The IUPAC name of (E)-3-[4-(2-amino-2-oxoethoxy)phenyl]-N-(2-methylpropyl)prop-2-enamide (CID 9400445) is (E)-3-[4-(2-amino-2-oxoethoxy)phenyl]-N-(2-methylpropyl)prop-2-enamide.
What is the SMILES notation for (E)-3-[4-(2-amino-2-oxoethoxy)phenyl]-N-(2-methylpropyl)prop-2-enamide?
The canonical SMILES for (E)-3-[4-(2-amino-2-oxoethoxy)phenyl]-N-(2-methylpropyl)prop-2-enamide is CC(C)CNC(=O)/C=C/c1ccc(OCC(N)=O)cc1.
What is the InChIKey of (E)-3-[4-(2-amino-2-oxoethoxy)phenyl]-N-(2-methylpropyl)prop-2-enamide?
The InChIKey is WMYMGWMUOHOHHH-VMPITWQZSA-N. The full InChI is InChI=1S/C15H20N2O3/c1-11(2)9-17-15(19)8-5-12-3-6-13(7-4-12)20-10-14(16)18/h3-8,11H,9-10H2,1-2H3,(H2,16,18)(H,17,19)/b8-5+.
What are the key properties of (E)-3-[4-(2-amino-2-oxoethoxy)phenyl]-N-(2-methylpropyl)prop-2-enamide?
(E)-3-[4-(2-amino-2-oxoethoxy)phenyl]-N-(2-methylpropyl)prop-2-enamide has a molecular weight of 276.34 g/mol, XLogP of 1.34, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-[4-(2-amino-2-oxoethoxy)phenyl]-N-(2-methylpropyl)prop-2-enamide is sourced from PubChem (CID 9400445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).