(E)-N-(2-amino-2-oxo-1-phenylethyl)-3-(3-methoxy-4-propoxyphenyl)prop-2-enamide

C21H24N2O4 — CID 51308733

IUPAC(E)-N-(2-amino-2-oxo-1-phenylethyl)-3-(3-methoxy-4-propoxyphenyl)prop-2-enamide
SMILESCCCOc1ccc(/C=C/C(=O)NC(C(N)=O)c2ccccc2)cc1OC
InChIInChI=1S/C21H24N2O4/c1-3-13-27-17-11-9-15(14-18(17)26-2)10-12-19(24)23-20(21(22)25)16-7-5-4-6-8-16/h4-12,14,20H,3,13H2,1-2H3,(H2,22,25)(H,23,24)/b12-10+
InChIKeyQENHDCJZAUTOTK-ZRDIBKRKSA-N
MW368.43 g/mol
LogP2.84
Rot. Bonds9

About (E)-N-(2-amino-2-oxo-1-phenylethyl)-3-(3-methoxy-4-propoxyphenyl)prop-2-enamide

(E)-N-(2-amino-2-oxo-1-phenylethyl)-3-(3-methoxy-4-propoxyphenyl)prop-2-enamide (PubChem CID 51308733) has the molecular formula C21H24N2O4 and a molecular weight of 368.43 g/mol. Its IUPAC name is (E)-N-(2-amino-2-oxo-1-phenylethyl)-3-(3-methoxy-4-propoxyphenyl)prop-2-enamide.

Molecular Properties

Compound Name(E)-N-(2-amino-2-oxo-1-phenylethyl)-3-(3-methoxy-4-propoxyphenyl)prop-2-enamide
PubChem CID51308733
Molecular FormulaC21H24N2O4
Molecular Weight368.43 g/mol
Exact Mass368.17
IUPAC Name(E)-N-(2-amino-2-oxo-1-phenylethyl)-3-(3-methoxy-4-propoxyphenyl)prop-2-enamide
SMILESCCCOc1ccc(/C=C/C(=O)NC(C(N)=O)c2ccccc2)cc1OC
InChIInChI=1S/C21H24N2O4/c1-3-13-27-17-11-9-15(14-18(17)26-2)10-12-19(24)23-20(21(22)25)16-7-5-4-6-8-16/h4-12,14,20H,3,13H2,1-2H3,(H2,22,25)(H,23,24)/b12-10+
InChIKeyQENHDCJZAUTOTK-ZRDIBKRKSA-N
XLogP2.84
TPSA90.65 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.43
LogP ≤ 52.84
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

(E)-N-(2-amino-2-oxo-1-phenylethyl)-3-[4-(difluoromethoxy)-3-methoxyphenyl]prop-2-enamide
CID 16587985
3-(3-methoxy-4-pentoxyphenyl)-N-(1-phenylethyl)prop-2-enamide
CID 4174981
3-(3-methoxy-4-propoxyphenyl)-N-(3-methylbutan-2-yl)prop-2-enamide
CID 76859005
(E)-N-benzyl-3-(3-methoxy-4-propoxyphenyl)prop-2-enamide
CID 8713217
(E)-3-(3-methoxy-4-propoxyphenyl)-N-[1-phenyl-2-(1,2,4-triazol-1-yl)ethyl]prop-2-enamide
CID 56547470
3-(3-methoxy-4-propoxyphenyl)-N-naphthalen-2-ylprop-2-enamide
CID 3440540
(E)-3-[3-methoxy-4-(2-methylpropoxy)phenyl]-N-[(1R)-1-phenylethyl]prop-2-enamide
CID 9315161
N-(2-fluorophenyl)-3-(3-methoxy-4-propoxyphenyl)prop-2-enamide
CID 5127825
(E)-3-(4-methoxy-3-propoxyphenyl)prop-2-enoic acid
CID 20534154
(E)-3-(3-methoxy-4-propoxyphenyl)-N-[2-(N-methylanilino)ethyl]prop-2-enamide
CID 30664111
3-(3,4-dimethoxyphenyl)-N-[2-(2-methoxyphenoxy)ethyl]prop-2-enamide
CID 5217365
3-(4-hexoxy-3-methoxyphenyl)-N-phenylprop-2-enamide
CID 3433146

Frequently Asked Questions

What is the IUPAC name of (E)-N-(2-amino-2-oxo-1-phenylethyl)-3-(3-methoxy-4-propoxyphenyl)prop-2-enamide?
The IUPAC name of (E)-N-(2-amino-2-oxo-1-phenylethyl)-3-(3-methoxy-4-propoxyphenyl)prop-2-enamide (CID 51308733) is (E)-N-(2-amino-2-oxo-1-phenylethyl)-3-(3-methoxy-4-propoxyphenyl)prop-2-enamide.
What is the SMILES notation for (E)-N-(2-amino-2-oxo-1-phenylethyl)-3-(3-methoxy-4-propoxyphenyl)prop-2-enamide?
The canonical SMILES for (E)-N-(2-amino-2-oxo-1-phenylethyl)-3-(3-methoxy-4-propoxyphenyl)prop-2-enamide is CCCOc1ccc(/C=C/C(=O)NC(C(N)=O)c2ccccc2)cc1OC.
What is the InChIKey of (E)-N-(2-amino-2-oxo-1-phenylethyl)-3-(3-methoxy-4-propoxyphenyl)prop-2-enamide?
The InChIKey is QENHDCJZAUTOTK-ZRDIBKRKSA-N. The full InChI is InChI=1S/C21H24N2O4/c1-3-13-27-17-11-9-15(14-18(17)26-2)10-12-19(24)23-20(21(22)25)16-7-5-4-6-8-16/h4-12,14,20H,3,13H2,1-2H3,(H2,22,25)(H,23,24)/b12-10+.
What are the key properties of (E)-N-(2-amino-2-oxo-1-phenylethyl)-3-(3-methoxy-4-propoxyphenyl)prop-2-enamide?
(E)-N-(2-amino-2-oxo-1-phenylethyl)-3-(3-methoxy-4-propoxyphenyl)prop-2-enamide has a molecular weight of 368.43 g/mol, XLogP of 2.84, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-(2-amino-2-oxo-1-phenylethyl)-3-(3-methoxy-4-propoxyphenyl)prop-2-enamide is sourced from PubChem (CID 51308733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).