[2-[benzyl(2-phenylethyl)amino]-2-oxoethyl] 2-(2,5-dioxopyrrolidin-1-yl)acetate

C23H24N2O5 — CID 55323049

IUPAC[2-[benzyl(2-phenylethyl)amino]-2-oxoethyl] 2-(2,5-dioxopyrrolidin-1-yl)acetate
SMILESO=C(CN1C(=O)CCC1=O)OCC(=O)N(CCc1ccccc1)Cc1ccccc1
InChIInChI=1S/C23H24N2O5/c26-20-11-12-21(27)25(20)16-23(29)30-17-22(28)24(15-19-9-5-2-6-10-19)14-13-18-7-3-1-4-8-18/h1-10H,11-17H2
InChIKeySVVNZYXRCYRDBV-UHFFFAOYSA-N
MW408.45 g/mol
LogP1.95
Rot. Bonds9

About [2-[benzyl(2-phenylethyl)amino]-2-oxoethyl] 2-(2,5-dioxopyrrolidin-1-yl)acetate

[2-[benzyl(2-phenylethyl)amino]-2-oxoethyl] 2-(2,5-dioxopyrrolidin-1-yl)acetate (PubChem CID 55323049) has the molecular formula C23H24N2O5 and a molecular weight of 408.45 g/mol. Its IUPAC name is [2-[benzyl(2-phenylethyl)amino]-2-oxoethyl] 2-(2,5-dioxopyrrolidin-1-yl)acetate.

Molecular Properties

Compound Name[2-[benzyl(2-phenylethyl)amino]-2-oxoethyl] 2-(2,5-dioxopyrrolidin-1-yl)acetate
PubChem CID55323049
Molecular FormulaC23H24N2O5
Molecular Weight408.45 g/mol
Exact Mass408.17
IUPAC Name[2-[benzyl(2-phenylethyl)amino]-2-oxoethyl] 2-(2,5-dioxopyrrolidin-1-yl)acetate
SMILESO=C(CN1C(=O)CCC1=O)OCC(=O)N(CCc1ccccc1)Cc1ccccc1
InChIInChI=1S/C23H24N2O5/c26-20-11-12-21(27)25(20)16-23(29)30-17-22(28)24(15-19-9-5-2-6-10-19)14-13-18-7-3-1-4-8-18/h1-10H,11-17H2
InChIKeySVVNZYXRCYRDBV-UHFFFAOYSA-N
XLogP1.95
TPSA83.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.45
LogP ≤ 51.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

[2-[benzyl(2-phenylethyl)amino]-2-oxoethyl] 3-(4-methyl-2-oxo-1,3-thiazol-3-yl)propanoate
CID 55386363
[2-[benzyl(2-phenylethyl)amino]-2-oxoethyl] 4-hydroxybenzoate
CID 7477900
[2-(N-benzylanilino)-2-oxoethyl] 2-(1,3-dioxoisoindol-2-yl)acetate
CID 55467802
N-benzyl-3-phenyl-N-(2-phenylethyl)propanamide
CID 42775856
[2-[benzyl(2-phenylethyl)amino]-2-oxoethyl] 2-[(2-fluorobenzoyl)amino]acetate
CID 35975308
ethyl 4-[benzyl(2-phenylethyl)amino]-4-oxobutanoate
CID 91713662
3-[4-[2-[benzyl(2-phenylethyl)amino]-2-oxoethoxy]phenyl]propanoic acid
CID 142845017
[2-[benzyl(2-phenylethyl)amino]-2-oxoethyl] 4-methoxybenzoate
CID 7872740
[2-[benzyl(2-phenylethyl)amino]-2-oxoethyl] 1-(furan-2-carbonyl)piperidine-4-carboxylate
CID 35377549
[2-[benzyl(2-phenylethyl)amino]-2-oxoethyl] 4-cyanobenzoate
CID 2371757
N-benzyl-2-methylsulfanyl-N-(2-phenylethyl)acetamide
CID 112791256
[2-[benzyl(2-phenylethyl)amino]-2-oxoethyl] 2,4,5-trimethoxybenzoate
CID 16528414

Frequently Asked Questions

What is the IUPAC name of [2-[benzyl(2-phenylethyl)amino]-2-oxoethyl] 2-(2,5-dioxopyrrolidin-1-yl)acetate?
The IUPAC name of [2-[benzyl(2-phenylethyl)amino]-2-oxoethyl] 2-(2,5-dioxopyrrolidin-1-yl)acetate (CID 55323049) is [2-[benzyl(2-phenylethyl)amino]-2-oxoethyl] 2-(2,5-dioxopyrrolidin-1-yl)acetate.
What is the SMILES notation for [2-[benzyl(2-phenylethyl)amino]-2-oxoethyl] 2-(2,5-dioxopyrrolidin-1-yl)acetate?
The canonical SMILES for [2-[benzyl(2-phenylethyl)amino]-2-oxoethyl] 2-(2,5-dioxopyrrolidin-1-yl)acetate is O=C(CN1C(=O)CCC1=O)OCC(=O)N(CCc1ccccc1)Cc1ccccc1.
What is the InChIKey of [2-[benzyl(2-phenylethyl)amino]-2-oxoethyl] 2-(2,5-dioxopyrrolidin-1-yl)acetate?
The InChIKey is SVVNZYXRCYRDBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N2O5/c26-20-11-12-21(27)25(20)16-23(29)30-17-22(28)24(15-19-9-5-2-6-10-19)14-13-18-7-3-1-4-8-18/h1-10H,11-17H2.
What are the key properties of [2-[benzyl(2-phenylethyl)amino]-2-oxoethyl] 2-(2,5-dioxopyrrolidin-1-yl)acetate?
[2-[benzyl(2-phenylethyl)amino]-2-oxoethyl] 2-(2,5-dioxopyrrolidin-1-yl)acetate has a molecular weight of 408.45 g/mol, XLogP of 1.95, 9 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[benzyl(2-phenylethyl)amino]-2-oxoethyl] 2-(2,5-dioxopyrrolidin-1-yl)acetate is sourced from PubChem (CID 55323049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).