[2-[2-(cyclohexen-1-yl)ethylamino]-2-oxoethyl] 2-[(4-chlorobenzoyl)amino]acetate

C19H23ClN2O4 — CID 2435045

IUPAC[2-[2-(cyclohexen-1-yl)ethylamino]-2-oxoethyl] 2-[(4-chlorobenzoyl)amino]acetate
SMILESO=C(COC(=O)CNC(=O)c1ccc(Cl)cc1)NCCC1=CCCCC1
InChIInChI=1S/C19H23ClN2O4/c20-16-8-6-15(7-9-16)19(25)22-12-18(24)26-13-17(23)21-11-10-14-4-2-1-3-5-14/h4,6-9H,1-3,5,10-13H2,(H,21,23)(H,22,25)
InChIKeyPIWYCUMSWNQTQW-UHFFFAOYSA-N
MW378.86 g/mol
LogP2.62
Rot. Bonds8

About [2-[2-(cyclohexen-1-yl)ethylamino]-2-oxoethyl] 2-[(4-chlorobenzoyl)amino]acetate

[2-[2-(cyclohexen-1-yl)ethylamino]-2-oxoethyl] 2-[(4-chlorobenzoyl)amino]acetate (PubChem CID 2435045) has the molecular formula C19H23ClN2O4 and a molecular weight of 378.86 g/mol. Its IUPAC name is [2-[2-(cyclohexen-1-yl)ethylamino]-2-oxoethyl] 2-[(4-chlorobenzoyl)amino]acetate.

Molecular Properties

Compound Name[2-[2-(cyclohexen-1-yl)ethylamino]-2-oxoethyl] 2-[(4-chlorobenzoyl)amino]acetate
PubChem CID2435045
Molecular FormulaC19H23ClN2O4
Molecular Weight378.86 g/mol
Exact Mass378.13
IUPAC Name[2-[2-(cyclohexen-1-yl)ethylamino]-2-oxoethyl] 2-[(4-chlorobenzoyl)amino]acetate
SMILESO=C(COC(=O)CNC(=O)c1ccc(Cl)cc1)NCCC1=CCCCC1
InChIInChI=1S/C19H23ClN2O4/c20-16-8-6-15(7-9-16)19(25)22-12-18(24)26-13-17(23)21-11-10-14-4-2-1-3-5-14/h4,6-9H,1-3,5,10-13H2,(H,21,23)(H,22,25)
InChIKeyPIWYCUMSWNQTQW-UHFFFAOYSA-N
XLogP2.62
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.86
LogP ≤ 52.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

Moclobemide
CID 4235
N-(4-Chlorobenzoyl)glycine
CID 26009
4-Chloro-N-(3-(4-morpholinyl)propyl)benzamide
CID 65659
[2-(Ethylamino)-2-oxoethyl] 3-[(4-chlorobenzoyl)amino]propanoate
CID 2571604
Methyl 2-[(3-chlorophenyl)carbonylamino]acetate
CID 669189
Ro 12-8095
CID 126278
Glycine, N-(2-chlorobenzoyl)-, methyl ester
CID 531380
2-(2-Chlorophenyl)-2-oxoethyl (benzoylamino)acetate
CID 1615618
[2-(Cyclopentylamino)-2-oxoethyl] 2-[(2-chlorobenzoyl)amino]acetate
CID 2407437
[2-Oxo-2-(2-phenylethylamino)ethyl] 4-(4-chlorophenyl)-4-oxobutanoate
CID 2436445
4-Chloro-N~1~-(2-morpholino-2-oxoethyl)benzamide
CID 2977748
[2-Oxo-2-(3-phenylpropylamino)ethyl] 2-benzamidoacetate
CID 3448368

Frequently Asked Questions

What is the IUPAC name of [2-[2-(cyclohexen-1-yl)ethylamino]-2-oxoethyl] 2-[(4-chlorobenzoyl)amino]acetate?
The IUPAC name of [2-[2-(cyclohexen-1-yl)ethylamino]-2-oxoethyl] 2-[(4-chlorobenzoyl)amino]acetate (CID 2435045) is [2-[2-(cyclohexen-1-yl)ethylamino]-2-oxoethyl] 2-[(4-chlorobenzoyl)amino]acetate.
What is the SMILES notation for [2-[2-(cyclohexen-1-yl)ethylamino]-2-oxoethyl] 2-[(4-chlorobenzoyl)amino]acetate?
The canonical SMILES for [2-[2-(cyclohexen-1-yl)ethylamino]-2-oxoethyl] 2-[(4-chlorobenzoyl)amino]acetate is O=C(COC(=O)CNC(=O)c1ccc(Cl)cc1)NCCC1=CCCCC1.
What is the InChIKey of [2-[2-(cyclohexen-1-yl)ethylamino]-2-oxoethyl] 2-[(4-chlorobenzoyl)amino]acetate?
The InChIKey is PIWYCUMSWNQTQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23ClN2O4/c20-16-8-6-15(7-9-16)19(25)22-12-18(24)26-13-17(23)21-11-10-14-4-2-1-3-5-14/h4,6-9H,1-3,5,10-13H2,(H,21,23)(H,22,25).
What are the key properties of [2-[2-(cyclohexen-1-yl)ethylamino]-2-oxoethyl] 2-[(4-chlorobenzoyl)amino]acetate?
[2-[2-(cyclohexen-1-yl)ethylamino]-2-oxoethyl] 2-[(4-chlorobenzoyl)amino]acetate has a molecular weight of 378.86 g/mol, XLogP of 2.62, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[2-(cyclohexen-1-yl)ethylamino]-2-oxoethyl] 2-[(4-chlorobenzoyl)amino]acetate is sourced from PubChem (CID 2435045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).