propan-2-yl 2-[benzyl-[2-[benzyl-(2-oxo-2-propan-2-yloxyethyl)amino]ethyl]amino]acetate

C26H36N2O4 — CID 46829552

IUPACpropan-2-yl 2-[benzyl-[2-[benzyl-(2-oxo-2-propan-2-yloxyethyl)amino]ethyl]amino]acetate
SMILESCC(C)OC(=O)CN(CCN(CC(=O)OC(C)C)Cc1ccccc1)Cc1ccccc1
InChIInChI=1S/C26H36N2O4/c1-21(2)31-25(29)19-27(17-23-11-7-5-8-12-23)15-16-28(20-26(30)32-22(3)4)18-24-13-9-6-10-14-24/h5-14,21-22H,15-20H2,1-4H3
InChIKeyPDKSBUDYYWLQGH-UHFFFAOYSA-N
MW440.58 g/mol
LogP3.89
Rot. Bonds13

About propan-2-yl 2-[benzyl-[2-[benzyl-(2-oxo-2-propan-2-yloxyethyl)amino]ethyl]amino]acetate

propan-2-yl 2-[benzyl-[2-[benzyl-(2-oxo-2-propan-2-yloxyethyl)amino]ethyl]amino]acetate (PubChem CID 46829552) has the molecular formula C26H36N2O4 and a molecular weight of 440.58 g/mol. Its IUPAC name is propan-2-yl 2-[benzyl-[2-[benzyl-(2-oxo-2-propan-2-yloxyethyl)amino]ethyl]amino]acetate.

Molecular Properties

Compound Namepropan-2-yl 2-[benzyl-[2-[benzyl-(2-oxo-2-propan-2-yloxyethyl)amino]ethyl]amino]acetate
PubChem CID46829552
Molecular FormulaC26H36N2O4
Molecular Weight440.58 g/mol
Exact Mass440.27
IUPAC Namepropan-2-yl 2-[benzyl-[2-[benzyl-(2-oxo-2-propan-2-yloxyethyl)amino]ethyl]amino]acetate
SMILESCC(C)OC(=O)CN(CCN(CC(=O)OC(C)C)Cc1ccccc1)Cc1ccccc1
InChIInChI=1S/C26H36N2O4/c1-21(2)31-25(29)19-27(17-23-11-7-5-8-12-23)15-16-28(20-26(30)32-22(3)4)18-24-13-9-6-10-14-24/h5-14,21-22H,15-20H2,1-4H3
InChIKeyPDKSBUDYYWLQGH-UHFFFAOYSA-N
XLogP3.89
TPSA59.08 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds13
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.58
LogP ≤ 53.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze propan-2-yl 2-[benzyl-[2-[benzyl-(2-oxo-2-propan-2-yloxyethyl)amino]ethyl]amino]acetate with MolForge

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Related Compounds

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Ethyl 2-(benzyl((tert-butoxy)carbonyl)amino)acetate
CID 10565655
Ethyl 2-[[benzyl-[2-[benzyl-[(2-ethoxy-2-oxoethyl)carbamoyl]amino]ethyl]carbamoyl]amino]acetate
CID 44533097
Benzyl-dimethyl-(2-oxo-2-tetradecoxyethyl)azanium bromide
CID 137635292
Methyl 2-(4-benzhydrylpiperazin-1-yl)acetate
CID 789874
1-Piperazineacetic acid, 4-(diphenylmethyl)-, ethyl ester
CID 3045046
(3-Oxo-5,6-diphenyl-3H-[1,2,4]triazin-4-yl)-acetic acid isopropyl ester
CID 6499868
Benzyl-(2-heptoxy-2-oxoethyl)-dimethylazanium bromide
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Benzyl-dimethyl-(2-octoxy-2-oxoethyl)azanium bromide
CID 137639143

Frequently Asked Questions

What is the IUPAC name of propan-2-yl 2-[benzyl-[2-[benzyl-(2-oxo-2-propan-2-yloxyethyl)amino]ethyl]amino]acetate?
The IUPAC name of propan-2-yl 2-[benzyl-[2-[benzyl-(2-oxo-2-propan-2-yloxyethyl)amino]ethyl]amino]acetate (CID 46829552) is propan-2-yl 2-[benzyl-[2-[benzyl-(2-oxo-2-propan-2-yloxyethyl)amino]ethyl]amino]acetate.
What is the SMILES notation for propan-2-yl 2-[benzyl-[2-[benzyl-(2-oxo-2-propan-2-yloxyethyl)amino]ethyl]amino]acetate?
The canonical SMILES for propan-2-yl 2-[benzyl-[2-[benzyl-(2-oxo-2-propan-2-yloxyethyl)amino]ethyl]amino]acetate is CC(C)OC(=O)CN(CCN(CC(=O)OC(C)C)Cc1ccccc1)Cc1ccccc1.
What is the InChIKey of propan-2-yl 2-[benzyl-[2-[benzyl-(2-oxo-2-propan-2-yloxyethyl)amino]ethyl]amino]acetate?
The InChIKey is PDKSBUDYYWLQGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H36N2O4/c1-21(2)31-25(29)19-27(17-23-11-7-5-8-12-23)15-16-28(20-26(30)32-22(3)4)18-24-13-9-6-10-14-24/h5-14,21-22H,15-20H2,1-4H3.
What are the key properties of propan-2-yl 2-[benzyl-[2-[benzyl-(2-oxo-2-propan-2-yloxyethyl)amino]ethyl]amino]acetate?
propan-2-yl 2-[benzyl-[2-[benzyl-(2-oxo-2-propan-2-yloxyethyl)amino]ethyl]amino]acetate has a molecular weight of 440.58 g/mol, XLogP of 3.89, 13 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-yl 2-[benzyl-[2-[benzyl-(2-oxo-2-propan-2-yloxyethyl)amino]ethyl]amino]acetate is sourced from PubChem (CID 46829552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).