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

C20H22N2O3 — CID 9488854

IUPAC(E)-3-[4-(2-amino-2-oxoethoxy)phenyl]-N-[2-(2-methylphenyl)ethyl]prop-2-enamide
SMILESCc1ccccc1CCNC(=O)/C=C/c1ccc(OCC(N)=O)cc1
InChIInChI=1S/C20H22N2O3/c1-15-4-2-3-5-17(15)12-13-22-20(24)11-8-16-6-9-18(10-7-16)25-14-19(21)23/h2-11H,12-14H2,1H3,(H2,21,23)(H,22,24)/b11-8+
InChIKeyWLGNNMBOAGCUMN-DHZHZOJOSA-N
MW338.41 g/mol
LogP2.23
Rot. Bonds8

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

(E)-3-[4-(2-amino-2-oxoethoxy)phenyl]-N-[2-(2-methylphenyl)ethyl]prop-2-enamide (PubChem CID 9488854) has the molecular formula C20H22N2O3 and a molecular weight of 338.41 g/mol. Its IUPAC name is (E)-3-[4-(2-amino-2-oxoethoxy)phenyl]-N-[2-(2-methylphenyl)ethyl]prop-2-enamide.

Molecular Properties

Compound Name(E)-3-[4-(2-amino-2-oxoethoxy)phenyl]-N-[2-(2-methylphenyl)ethyl]prop-2-enamide
PubChem CID9488854
Molecular FormulaC20H22N2O3
Molecular Weight338.41 g/mol
Exact Mass338.16
IUPAC Name(E)-3-[4-(2-amino-2-oxoethoxy)phenyl]-N-[2-(2-methylphenyl)ethyl]prop-2-enamide
SMILESCc1ccccc1CCNC(=O)/C=C/c1ccc(OCC(N)=O)cc1
InChIInChI=1S/C20H22N2O3/c1-15-4-2-3-5-17(15)12-13-22-20(24)11-8-16-6-9-18(10-7-16)25-14-19(21)23/h2-11H,12-14H2,1H3,(H2,21,23)(H,22,24)/b11-8+
InChIKeyWLGNNMBOAGCUMN-DHZHZOJOSA-N
XLogP2.23
TPSA81.42 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.41
LogP ≤ 52.23
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

(E)-3-[4-(2-amino-2-oxoethoxy)phenyl]-N-[2-(3-fluorophenyl)ethyl]prop-2-enamide
CID 134031178
(E)-3-[4-(2-amino-2-oxoethoxy)phenyl]-N-(2-methylpropyl)prop-2-enamide
CID 9400445
(E)-3-[4-(2-amino-2-oxoethoxy)phenyl]-N-[2-(cyclohexen-1-yl)ethyl]prop-2-enamide
CID 9488922
3-[4-(2-amino-2-oxoethoxy)phenyl]-N-(2-benzylphenyl)prop-2-enamide
CID 76854319
[2-[2-(2-methylphenyl)ethylamino]-2-oxoethyl] (E)-3-(4-fluorophenyl)prop-2-enoate
CID 9333809
3-[4-(2-amino-2-oxoethoxy)phenyl]-N-(4-bromo-3-methylphenyl)prop-2-enamide
CID 76854308
2-[[(E)-3-[4-(2-amino-2-oxoethoxy)phenyl]prop-2-enoyl]amino]-N-(3-amino-3-oxopropyl)benzamide
CID 56572105
(2-amino-2-oxoethyl) 3-[[(E)-3-(4-methoxyphenyl)prop-2-enoyl]amino]propanoate
CID 7827963
(E)-N-(2-phenylethyl)-3-(4-prop-2-enoxyphenyl)prop-2-enamide
CID 26913059
3-[4-(2-amino-2-oxoethoxy)phenyl]-N-[2-(4-phenylpiperazin-1-yl)propyl]prop-2-enamide
CID 76867651
(E)-3-[4-(2-amino-2-oxoethoxy)phenyl]-N-cyclopentylprop-2-enamide
CID 134060013
N-(1-adamantylmethyl)-3-[4-(2-amino-2-oxoethoxy)phenyl]prop-2-enamide
CID 76854345

Frequently Asked Questions

What is the IUPAC name of (E)-3-[4-(2-amino-2-oxoethoxy)phenyl]-N-[2-(2-methylphenyl)ethyl]prop-2-enamide?
The IUPAC name of (E)-3-[4-(2-amino-2-oxoethoxy)phenyl]-N-[2-(2-methylphenyl)ethyl]prop-2-enamide (CID 9488854) is (E)-3-[4-(2-amino-2-oxoethoxy)phenyl]-N-[2-(2-methylphenyl)ethyl]prop-2-enamide.
What is the SMILES notation for (E)-3-[4-(2-amino-2-oxoethoxy)phenyl]-N-[2-(2-methylphenyl)ethyl]prop-2-enamide?
The canonical SMILES for (E)-3-[4-(2-amino-2-oxoethoxy)phenyl]-N-[2-(2-methylphenyl)ethyl]prop-2-enamide is Cc1ccccc1CCNC(=O)/C=C/c1ccc(OCC(N)=O)cc1.
What is the InChIKey of (E)-3-[4-(2-amino-2-oxoethoxy)phenyl]-N-[2-(2-methylphenyl)ethyl]prop-2-enamide?
The InChIKey is WLGNNMBOAGCUMN-DHZHZOJOSA-N. The full InChI is InChI=1S/C20H22N2O3/c1-15-4-2-3-5-17(15)12-13-22-20(24)11-8-16-6-9-18(10-7-16)25-14-19(21)23/h2-11H,12-14H2,1H3,(H2,21,23)(H,22,24)/b11-8+.
What are the key properties of (E)-3-[4-(2-amino-2-oxoethoxy)phenyl]-N-[2-(2-methylphenyl)ethyl]prop-2-enamide?
(E)-3-[4-(2-amino-2-oxoethoxy)phenyl]-N-[2-(2-methylphenyl)ethyl]prop-2-enamide has a molecular weight of 338.41 g/mol, XLogP of 2.23, 8 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-(2-methylphenyl)ethyl]prop-2-enamide is sourced from PubChem (CID 9488854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).