[2-oxo-2-[(1-phenylcyclopropyl)methylamino]ethyl] (E)-3-(2-methoxyphenyl)prop-2-enoate

C22H23NO4 — CID 55525556

IUPAC[2-oxo-2-[(1-phenylcyclopropyl)methylamino]ethyl] (E)-3-(2-methoxyphenyl)prop-2-enoate
SMILESCOc1ccccc1/C=C/C(=O)OCC(=O)NCC1(c2ccccc2)CC1
InChIInChI=1S/C22H23NO4/c1-26-19-10-6-5-7-17(19)11-12-21(25)27-15-20(24)23-16-22(13-14-22)18-8-3-2-4-9-18/h2-12H,13-16H2,1H3,(H,23,24)/b12-11+
InChIKeyHRWRXNPNIOSFTM-VAWYXSNFSA-N
MW365.43 g/mol
LogP3.10
Rot. Bonds8

About [2-oxo-2-[(1-phenylcyclopropyl)methylamino]ethyl] (E)-3-(2-methoxyphenyl)prop-2-enoate

[2-oxo-2-[(1-phenylcyclopropyl)methylamino]ethyl] (E)-3-(2-methoxyphenyl)prop-2-enoate (PubChem CID 55525556) has the molecular formula C22H23NO4 and a molecular weight of 365.43 g/mol. Its IUPAC name is [2-oxo-2-[(1-phenylcyclopropyl)methylamino]ethyl] (E)-3-(2-methoxyphenyl)prop-2-enoate.

Molecular Properties

Compound Name[2-oxo-2-[(1-phenylcyclopropyl)methylamino]ethyl] (E)-3-(2-methoxyphenyl)prop-2-enoate
PubChem CID55525556
Molecular FormulaC22H23NO4
Molecular Weight365.43 g/mol
Exact Mass365.16
IUPAC Name[2-oxo-2-[(1-phenylcyclopropyl)methylamino]ethyl] (E)-3-(2-methoxyphenyl)prop-2-enoate
SMILESCOc1ccccc1/C=C/C(=O)OCC(=O)NCC1(c2ccccc2)CC1
InChIInChI=1S/C22H23NO4/c1-26-19-10-6-5-7-17(19)11-12-21(25)27-15-20(24)23-16-22(13-14-22)18-8-3-2-4-9-18/h2-12H,13-16H2,1H3,(H,23,24)/b12-11+
InChIKeyHRWRXNPNIOSFTM-VAWYXSNFSA-N
XLogP3.10
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.43
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze [2-oxo-2-[(1-phenylcyclopropyl)methylamino]ethyl] (E)-3-(2-methoxyphenyl)prop-2-enoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[2-oxo-2-[(1-phenylcyclobutyl)methylamino]ethyl] (E)-3-(2,4,5-trimethoxyphenyl)prop-2-enoate
CID 31639334
[2-(ethylamino)-2-oxoethyl] 3-(2-methoxyphenyl)prop-2-enoate
CID 4223995
[2-(2-methylpropylamino)-2-oxoethyl] 3-(2-methoxyphenyl)prop-2-enoate
CID 71953961
methyl 4-[(E)-3-oxo-3-[2-oxo-2-[(1-phenylcyclobutyl)methylamino]ethoxy]prop-1-enyl]benzoate
CID 31260462
[2-(3-methylbutylamino)-2-oxoethyl] (E)-3-(2-methoxyphenyl)prop-2-enoate
CID 2541348
[2-(cyclopropylamino)-2-oxoethyl] (E)-3-(2-methoxyphenyl)prop-2-enoate
CID 2541665
phenacyl (E)-3-(2-methoxyphenyl)prop-2-enoate
CID 2541811
[2-[2-(2-methylphenyl)ethylamino]-2-oxoethyl] (E)-3-(2-methoxyphenyl)prop-2-enoate
CID 9289086
2-(2-methoxyphenoxy)-N-[(1-phenylcyclopentyl)methyl]acetamide
CID 18128274
(2-amino-2-oxoethyl) (E)-3-(2-methoxyphenyl)prop-2-enoate
CID 2541550
methyl (2S)-2-[[2-[(E)-3-(2-methoxyphenyl)prop-2-enoyl]oxyacetyl]amino]-3-phenylpropanoate
CID 9289122
[2-(furan-2-ylmethylamino)-2-oxoethyl] 3-(2-methoxyphenyl)prop-2-enoate
CID 3439565

Frequently Asked Questions

What is the IUPAC name of [2-oxo-2-[(1-phenylcyclopropyl)methylamino]ethyl] (E)-3-(2-methoxyphenyl)prop-2-enoate?
The IUPAC name of [2-oxo-2-[(1-phenylcyclopropyl)methylamino]ethyl] (E)-3-(2-methoxyphenyl)prop-2-enoate (CID 55525556) is [2-oxo-2-[(1-phenylcyclopropyl)methylamino]ethyl] (E)-3-(2-methoxyphenyl)prop-2-enoate.
What is the SMILES notation for [2-oxo-2-[(1-phenylcyclopropyl)methylamino]ethyl] (E)-3-(2-methoxyphenyl)prop-2-enoate?
The canonical SMILES for [2-oxo-2-[(1-phenylcyclopropyl)methylamino]ethyl] (E)-3-(2-methoxyphenyl)prop-2-enoate is COc1ccccc1/C=C/C(=O)OCC(=O)NCC1(c2ccccc2)CC1.
What is the InChIKey of [2-oxo-2-[(1-phenylcyclopropyl)methylamino]ethyl] (E)-3-(2-methoxyphenyl)prop-2-enoate?
The InChIKey is HRWRXNPNIOSFTM-VAWYXSNFSA-N. The full InChI is InChI=1S/C22H23NO4/c1-26-19-10-6-5-7-17(19)11-12-21(25)27-15-20(24)23-16-22(13-14-22)18-8-3-2-4-9-18/h2-12H,13-16H2,1H3,(H,23,24)/b12-11+.
What are the key properties of [2-oxo-2-[(1-phenylcyclopropyl)methylamino]ethyl] (E)-3-(2-methoxyphenyl)prop-2-enoate?
[2-oxo-2-[(1-phenylcyclopropyl)methylamino]ethyl] (E)-3-(2-methoxyphenyl)prop-2-enoate has a molecular weight of 365.43 g/mol, XLogP of 3.10, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-oxo-2-[(1-phenylcyclopropyl)methylamino]ethyl] (E)-3-(2-methoxyphenyl)prop-2-enoate is sourced from PubChem (CID 55525556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).