[2-oxo-2-(pentylamino)ethyl] 2-benzamido-2-phenylacetate

C22H26N2O4 — CID 55459412

IUPAC[2-oxo-2-(pentylamino)ethyl] 2-benzamido-2-phenylacetate
SMILESCCCCCNC(=O)COC(=O)C(NC(=O)c1ccccc1)c1ccccc1
InChIInChI=1S/C22H26N2O4/c1-2-3-10-15-23-19(25)16-28-22(27)20(17-11-6-4-7-12-17)24-21(26)18-13-8-5-9-14-18/h4-9,11-14,20H,2-3,10,15-16H2,1H3,(H,23,25)(H,24,26)
InChIKeyPARGWHCDFHZTNL-UHFFFAOYSA-N
MW382.46 g/mol
LogP3.01
Rot. Bonds10

About [2-oxo-2-(pentylamino)ethyl] 2-benzamido-2-phenylacetate

[2-oxo-2-(pentylamino)ethyl] 2-benzamido-2-phenylacetate (PubChem CID 55459412) has the molecular formula C22H26N2O4 and a molecular weight of 382.46 g/mol. Its IUPAC name is [2-oxo-2-(pentylamino)ethyl] 2-benzamido-2-phenylacetate.

Molecular Properties

Compound Name[2-oxo-2-(pentylamino)ethyl] 2-benzamido-2-phenylacetate
PubChem CID55459412
Molecular FormulaC22H26N2O4
Molecular Weight382.46 g/mol
Exact Mass382.19
IUPAC Name[2-oxo-2-(pentylamino)ethyl] 2-benzamido-2-phenylacetate
SMILESCCCCCNC(=O)COC(=O)C(NC(=O)c1ccccc1)c1ccccc1
InChIInChI=1S/C22H26N2O4/c1-2-3-10-15-23-19(25)16-28-22(27)20(17-11-6-4-7-12-17)24-21(26)18-13-8-5-9-14-18/h4-9,11-14,20H,2-3,10,15-16H2,1H3,(H,23,25)(H,24,26)
InChIKeyPARGWHCDFHZTNL-UHFFFAOYSA-N
XLogP3.01
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.46
LogP ≤ 53.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

[2-(furan-2-ylmethylamino)-2-oxoethyl] 2-benzamido-2-phenylacetate
CID 46666523
N-[3-oxo-3-(pentylamino)propyl]benzamide
CID 17154443
(2R)-2-(pentylcarbamoylamino)-2-phenylacetic acid
CID 61183256
N-[3-(hexylamino)-3-oxopropyl]benzamide
CID 17154430
[2-(3-fluoroanilino)-2-oxoethyl] 2-benzamido-2-phenylacetate
CID 46661250
[2-(cyclopentylcarbamoylamino)-2-oxoethyl] 2-benzamido-2-phenylacetate
CID 46661496
N-[4-(butylamino)-4-oxobutyl]benzamide
CID 78795173
4-[[2-(hexadecylamino)-2-oxoethyl]amino]-N-(1-phenylethyl)benzamide
CID 54846255
ethyl 3-benzamido-2-oxo-3-phenylpropanoate
CID 11809094
[2-(ethylamino)-2-oxoethyl] (2S)-2-benzamido-3-methylbutanoate
CID 2582740
N-butyl-4-[2-oxo-2-(pentylamino)ethoxy]benzamide
CID 4846679
ethyl (2S)-2-[(2-ethoxy-2-oxoacetyl)amino]-2-phenylacetate
CID 102489983

Frequently Asked Questions

What is the IUPAC name of [2-oxo-2-(pentylamino)ethyl] 2-benzamido-2-phenylacetate?
The IUPAC name of [2-oxo-2-(pentylamino)ethyl] 2-benzamido-2-phenylacetate (CID 55459412) is [2-oxo-2-(pentylamino)ethyl] 2-benzamido-2-phenylacetate.
What is the SMILES notation for [2-oxo-2-(pentylamino)ethyl] 2-benzamido-2-phenylacetate?
The canonical SMILES for [2-oxo-2-(pentylamino)ethyl] 2-benzamido-2-phenylacetate is CCCCCNC(=O)COC(=O)C(NC(=O)c1ccccc1)c1ccccc1.
What is the InChIKey of [2-oxo-2-(pentylamino)ethyl] 2-benzamido-2-phenylacetate?
The InChIKey is PARGWHCDFHZTNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N2O4/c1-2-3-10-15-23-19(25)16-28-22(27)20(17-11-6-4-7-12-17)24-21(26)18-13-8-5-9-14-18/h4-9,11-14,20H,2-3,10,15-16H2,1H3,(H,23,25)(H,24,26).
What are the key properties of [2-oxo-2-(pentylamino)ethyl] 2-benzamido-2-phenylacetate?
[2-oxo-2-(pentylamino)ethyl] 2-benzamido-2-phenylacetate has a molecular weight of 382.46 g/mol, XLogP of 3.01, 10 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-oxo-2-(pentylamino)ethyl] 2-benzamido-2-phenylacetate is sourced from PubChem (CID 55459412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).