[2-oxo-2-(prop-2-enylcarbamoylamino)ethyl] (E)-3-(4-propan-2-ylphenyl)prop-2-enoate

C18H22N2O4 — CID 41358904

IUPAC[2-oxo-2-(prop-2-enylcarbamoylamino)ethyl] (E)-3-(4-propan-2-ylphenyl)prop-2-enoate
SMILESC=CCNC(=O)NC(=O)COC(=O)/C=C/c1ccc(C(C)C)cc1
InChIInChI=1S/C18H22N2O4/c1-4-11-19-18(23)20-16(21)12-24-17(22)10-7-14-5-8-15(9-6-14)13(2)3/h4-10,13H,1,11-12H2,2-3H3,(H2,19,20,21,23)/b10-7+
InChIKeySFBQVCHQWPAEIG-JXMROGBWSA-N
MW330.38 g/mol
LogP2.38
Rot. Bonds7

About [2-oxo-2-(prop-2-enylcarbamoylamino)ethyl] (E)-3-(4-propan-2-ylphenyl)prop-2-enoate

[2-oxo-2-(prop-2-enylcarbamoylamino)ethyl] (E)-3-(4-propan-2-ylphenyl)prop-2-enoate (PubChem CID 41358904) has the molecular formula C18H22N2O4 and a molecular weight of 330.38 g/mol. Its IUPAC name is [2-oxo-2-(prop-2-enylcarbamoylamino)ethyl] (E)-3-(4-propan-2-ylphenyl)prop-2-enoate.

Molecular Properties

Compound Name[2-oxo-2-(prop-2-enylcarbamoylamino)ethyl] (E)-3-(4-propan-2-ylphenyl)prop-2-enoate
PubChem CID41358904
Molecular FormulaC18H22N2O4
Molecular Weight330.38 g/mol
Exact Mass330.16
IUPAC Name[2-oxo-2-(prop-2-enylcarbamoylamino)ethyl] (E)-3-(4-propan-2-ylphenyl)prop-2-enoate
SMILESC=CCNC(=O)NC(=O)COC(=O)/C=C/c1ccc(C(C)C)cc1
InChIInChI=1S/C18H22N2O4/c1-4-11-19-18(23)20-16(21)12-24-17(22)10-7-14-5-8-15(9-6-14)13(2)3/h4-10,13H,1,11-12H2,2-3H3,(H2,19,20,21,23)/b10-7+
InChIKeySFBQVCHQWPAEIG-JXMROGBWSA-N
XLogP2.38
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.38
LogP ≤ 52.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze [2-oxo-2-(prop-2-enylcarbamoylamino)ethyl] (E)-3-(4-propan-2-ylphenyl)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-benzamido-2-oxoethyl) (E)-3-(4-propan-2-ylphenyl)prop-2-enoate
CID 42984269
[2-oxo-2-(prop-2-enylcarbamoylamino)ethyl] (E)-3-(2-chlorophenyl)prop-2-enoate
CID 7786945
[2-(ethylcarbamoylamino)-2-oxoethyl] (E)-3-(4-chlorophenyl)prop-2-enoate
CID 2516314
[2-(3,5-dichloroanilino)-2-oxoethyl] 3-(4-propan-2-ylphenyl)prop-2-enoate
CID 5011992
[2-oxo-2-(4-propan-2-ylanilino)ethyl] (E)-3-(4-fluorophenyl)prop-2-enoate
CID 7767397
[2-(2-methylpropylcarbamoylamino)-2-oxoethyl] (E)-3-phenylprop-2-enoate
CID 2509041
[2-oxo-2-(propan-2-ylcarbamoylamino)ethyl] (E)-3-(4-chlorophenyl)prop-2-enoate
CID 2516106
[2-(3-methylbutylcarbamoylamino)-2-oxoethyl] (E)-3-(4-fluorophenyl)prop-2-enoate
CID 2552580
[2-(methylcarbamoylamino)-2-oxoethyl] (E)-3-(4-chlorophenyl)prop-2-enoate
CID 2516265
[2-oxo-2-(2-propan-2-ylanilino)ethyl] 3-(4-propan-2-ylphenyl)prop-2-enoate
CID 3644944
[2-(2-methylpropylamino)-2-oxoethyl] (E)-3-(4-prop-2-enoxyphenyl)prop-2-enoate
CID 2613498
[2-oxo-2-(propan-2-ylcarbamoylamino)ethyl] (E)-3-phenylprop-2-enoate
CID 2508820

Frequently Asked Questions

What is the IUPAC name of [2-oxo-2-(prop-2-enylcarbamoylamino)ethyl] (E)-3-(4-propan-2-ylphenyl)prop-2-enoate?
The IUPAC name of [2-oxo-2-(prop-2-enylcarbamoylamino)ethyl] (E)-3-(4-propan-2-ylphenyl)prop-2-enoate (CID 41358904) is [2-oxo-2-(prop-2-enylcarbamoylamino)ethyl] (E)-3-(4-propan-2-ylphenyl)prop-2-enoate.
What is the SMILES notation for [2-oxo-2-(prop-2-enylcarbamoylamino)ethyl] (E)-3-(4-propan-2-ylphenyl)prop-2-enoate?
The canonical SMILES for [2-oxo-2-(prop-2-enylcarbamoylamino)ethyl] (E)-3-(4-propan-2-ylphenyl)prop-2-enoate is C=CCNC(=O)NC(=O)COC(=O)/C=C/c1ccc(C(C)C)cc1.
What is the InChIKey of [2-oxo-2-(prop-2-enylcarbamoylamino)ethyl] (E)-3-(4-propan-2-ylphenyl)prop-2-enoate?
The InChIKey is SFBQVCHQWPAEIG-JXMROGBWSA-N. The full InChI is InChI=1S/C18H22N2O4/c1-4-11-19-18(23)20-16(21)12-24-17(22)10-7-14-5-8-15(9-6-14)13(2)3/h4-10,13H,1,11-12H2,2-3H3,(H2,19,20,21,23)/b10-7+.
What are the key properties of [2-oxo-2-(prop-2-enylcarbamoylamino)ethyl] (E)-3-(4-propan-2-ylphenyl)prop-2-enoate?
[2-oxo-2-(prop-2-enylcarbamoylamino)ethyl] (E)-3-(4-propan-2-ylphenyl)prop-2-enoate has a molecular weight of 330.38 g/mol, XLogP of 2.38, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-oxo-2-(prop-2-enylcarbamoylamino)ethyl] (E)-3-(4-propan-2-ylphenyl)prop-2-enoate is sourced from PubChem (CID 41358904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).