[2-[benzyl(ethyl)amino]-2-oxoethyl] 4-(cyclopropanecarbonylamino)benzoate

C22H24N2O4 — CID 18085391

IUPAC[2-[benzyl(ethyl)amino]-2-oxoethyl] 4-(cyclopropanecarbonylamino)benzoate
SMILESCCN(Cc1ccccc1)C(=O)COC(=O)c1ccc(NC(=O)C2CC2)cc1
InChIInChI=1S/C22H24N2O4/c1-2-24(14-16-6-4-3-5-7-16)20(25)15-28-22(27)18-10-12-19(13-11-18)23-21(26)17-8-9-17/h3-7,10-13,17H,2,8-9,14-15H2,1H3,(H,23,26)
InChIKeyXTPGEGYHXXVVBR-UHFFFAOYSA-N
MW380.44 g/mol
LogP3.24
Rot. Bonds8

About [2-[benzyl(ethyl)amino]-2-oxoethyl] 4-(cyclopropanecarbonylamino)benzoate

[2-[benzyl(ethyl)amino]-2-oxoethyl] 4-(cyclopropanecarbonylamino)benzoate (PubChem CID 18085391) has the molecular formula C22H24N2O4 and a molecular weight of 380.44 g/mol. Its IUPAC name is [2-[benzyl(ethyl)amino]-2-oxoethyl] 4-(cyclopropanecarbonylamino)benzoate.

Molecular Properties

Compound Name[2-[benzyl(ethyl)amino]-2-oxoethyl] 4-(cyclopropanecarbonylamino)benzoate
PubChem CID18085391
Molecular FormulaC22H24N2O4
Molecular Weight380.44 g/mol
Exact Mass380.17
IUPAC Name[2-[benzyl(ethyl)amino]-2-oxoethyl] 4-(cyclopropanecarbonylamino)benzoate
SMILESCCN(Cc1ccccc1)C(=O)COC(=O)c1ccc(NC(=O)C2CC2)cc1
InChIInChI=1S/C22H24N2O4/c1-2-24(14-16-6-4-3-5-7-16)20(25)15-28-22(27)18-10-12-19(13-11-18)23-21(26)17-8-9-17/h3-7,10-13,17H,2,8-9,14-15H2,1H3,(H,23,26)
InChIKeyXTPGEGYHXXVVBR-UHFFFAOYSA-N
XLogP3.24
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.44
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 4-[[4-(diethylcarbamoyl)cyclohexanecarbonyl]amino]benzoate
CID 109149492
[1-(dibenzylamino)-1-oxopropan-2-yl] 4-(cyclopropanecarbonylamino)benzoate
CID 46792741
[2-[(4-fluorophenyl)methyl-methylamino]-2-oxoethyl] 4-(cyclopropanecarbonylamino)benzoate
CID 46792730
[2-[benzyl(ethyl)amino]-2-oxoethyl] 4-pyrrol-1-ylbenzoate
CID 18197217
[2-[benzyl(2-methoxyethyl)amino]-2-oxoethyl] 4-acetamidobenzoate
CID 9015831
[1-[benzyl(methyl)amino]-1-oxopropan-2-yl] 4-(cyclopropanecarbonylamino)benzoate
CID 46792773
[2-(dibenzylamino)-2-oxoethyl] 4-(2-oxo-2-phenylacetyl)benzoate
CID 2531997
[2-[benzyl(ethyl)amino]-2-oxoethyl] 4-[2-(2,6-dimethylpiperidin-1-yl)-2-oxoethoxy]benzoate
CID 16507914
[2-oxo-2-(1-phenylethylamino)ethyl] 4-(cyclopropanecarbonylamino)benzoate
CID 18085650
[2-[benzyl(ethyl)amino]-2-oxoethyl] 3,5-dimethoxybenzoate
CID 18073894
[2-(dibenzylamino)-2-oxoethyl] 4-tert-butylbenzoate
CID 7891947
[2-[3-(diethylsulfamoyl)anilino]-2-oxoethyl] 4-(cyclopropanecarbonylamino)benzoate
CID 42985627

Frequently Asked Questions

What is the IUPAC name of [2-[benzyl(ethyl)amino]-2-oxoethyl] 4-(cyclopropanecarbonylamino)benzoate?
The IUPAC name of [2-[benzyl(ethyl)amino]-2-oxoethyl] 4-(cyclopropanecarbonylamino)benzoate (CID 18085391) is [2-[benzyl(ethyl)amino]-2-oxoethyl] 4-(cyclopropanecarbonylamino)benzoate.
What is the SMILES notation for [2-[benzyl(ethyl)amino]-2-oxoethyl] 4-(cyclopropanecarbonylamino)benzoate?
The canonical SMILES for [2-[benzyl(ethyl)amino]-2-oxoethyl] 4-(cyclopropanecarbonylamino)benzoate is CCN(Cc1ccccc1)C(=O)COC(=O)c1ccc(NC(=O)C2CC2)cc1.
What is the InChIKey of [2-[benzyl(ethyl)amino]-2-oxoethyl] 4-(cyclopropanecarbonylamino)benzoate?
The InChIKey is XTPGEGYHXXVVBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N2O4/c1-2-24(14-16-6-4-3-5-7-16)20(25)15-28-22(27)18-10-12-19(13-11-18)23-21(26)17-8-9-17/h3-7,10-13,17H,2,8-9,14-15H2,1H3,(H,23,26).
What are the key properties of [2-[benzyl(ethyl)amino]-2-oxoethyl] 4-(cyclopropanecarbonylamino)benzoate?
[2-[benzyl(ethyl)amino]-2-oxoethyl] 4-(cyclopropanecarbonylamino)benzoate has a molecular weight of 380.44 g/mol, XLogP of 3.24, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[benzyl(ethyl)amino]-2-oxoethyl] 4-(cyclopropanecarbonylamino)benzoate is sourced from PubChem (CID 18085391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).