2-[benzyl(2-oxopropyl)amino]-N-trityloxyacetamide

C31H30N2O3 — CID 123566006

IUPAC2-[benzyl(2-oxopropyl)amino]-N-trityloxyacetamide
SMILESCC(=O)CN(CC(=O)NOC(c1ccccc1)(c1ccccc1)c1ccccc1)Cc1ccccc1
InChIInChI=1S/C31H30N2O3/c1-25(34)22-33(23-26-14-6-2-7-15-26)24-30(35)32-36-31(27-16-8-3-9-17-27,28-18-10-4-11-19-28)29-20-12-5-13-21-29/h2-21H,22-24H2,1H3,(H,32,35)
InChIKeyPDIRKQFUCIOADN-UHFFFAOYSA-N
MW478.59 g/mol
LogP5.12
Rot. Bonds11

About 2-[benzyl(2-oxopropyl)amino]-N-trityloxyacetamide

2-[benzyl(2-oxopropyl)amino]-N-trityloxyacetamide (PubChem CID 123566006) has the molecular formula C31H30N2O3 and a molecular weight of 478.59 g/mol. Its IUPAC name is 2-[benzyl(2-oxopropyl)amino]-N-trityloxyacetamide.

Molecular Properties

Compound Name2-[benzyl(2-oxopropyl)amino]-N-trityloxyacetamide
PubChem CID123566006
Molecular FormulaC31H30N2O3
Molecular Weight478.59 g/mol
Exact Mass478.23
IUPAC Name2-[benzyl(2-oxopropyl)amino]-N-trityloxyacetamide
SMILESCC(=O)CN(CC(=O)NOC(c1ccccc1)(c1ccccc1)c1ccccc1)Cc1ccccc1
InChIInChI=1S/C31H30N2O3/c1-25(34)22-33(23-26-14-6-2-7-15-26)24-30(35)32-36-31(27-16-8-3-9-17-27,28-18-10-4-11-19-28)29-20-12-5-13-21-29/h2-21H,22-24H2,1H3,(H,32,35)
InChIKeyPDIRKQFUCIOADN-UHFFFAOYSA-N
XLogP5.12
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500478.59
LogP ≤ 55.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'triphenyl_methyl-silyl', 'substructure': 'N/A'}

Analyze 2-[benzyl(2-oxopropyl)amino]-N-trityloxyacetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[(4-fluorophenyl)methyl]-2-methyl-N'-trityloxypropanediamide
CID 44541374
N-[(4-fluorophenyl)methyl]-2,2-dimethyl-N'-trityloxypropanediamide
CID 44541375
2-(4-benzylpiperazin-1-yl)-N-phenylmethoxyacetamide
CID 15434887
3-phenyl-N-phenylmethoxy-2-[(4-phenylphenyl)methylamino]propanamide
CID 20748993
1-Phenylmethoxy-3-(tritylamino)azetidin-2-one
CID 22001288
2-[4-[(3-methylphenyl)methyl]piperazin-1-yl]-N-phenylmethoxyacetamide
CID 53826877
N-benzyl-1,2-diphenyl-N-(2-phenylpropan-2-yloxy)ethanamine
CID 59962330
4-Benzyl-1-[(2-methylphenyl)-phenylmethoxy]piperazine-2,6-dione
CID 67665493
(3S)-1-phenylmethoxy-3-(tritylamino)azetidin-2-one
CID 70228312
2-[Benzyl-[2-oxo-2-(trityloxyamino)ethyl]amino]acetic acid
CID 88892176
1-[2-(benzylamino)ethyl]-N-trityloxypiperidine-4-carboxamide
CID 155146387
1-benzyl-N-trityloxypiperidine-4-carboxamide
CID 155146401

Frequently Asked Questions

What is the IUPAC name of 2-[benzyl(2-oxopropyl)amino]-N-trityloxyacetamide?
The IUPAC name of 2-[benzyl(2-oxopropyl)amino]-N-trityloxyacetamide (CID 123566006) is 2-[benzyl(2-oxopropyl)amino]-N-trityloxyacetamide.
What is the SMILES notation for 2-[benzyl(2-oxopropyl)amino]-N-trityloxyacetamide?
The canonical SMILES for 2-[benzyl(2-oxopropyl)amino]-N-trityloxyacetamide is CC(=O)CN(CC(=O)NOC(c1ccccc1)(c1ccccc1)c1ccccc1)Cc1ccccc1.
What is the InChIKey of 2-[benzyl(2-oxopropyl)amino]-N-trityloxyacetamide?
The InChIKey is PDIRKQFUCIOADN-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H30N2O3/c1-25(34)22-33(23-26-14-6-2-7-15-26)24-30(35)32-36-31(27-16-8-3-9-17-27,28-18-10-4-11-19-28)29-20-12-5-13-21-29/h2-21H,22-24H2,1H3,(H,32,35).
What are the key properties of 2-[benzyl(2-oxopropyl)amino]-N-trityloxyacetamide?
2-[benzyl(2-oxopropyl)amino]-N-trityloxyacetamide has a molecular weight of 478.59 g/mol, XLogP of 5.12, 11 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[benzyl(2-oxopropyl)amino]-N-trityloxyacetamide is sourced from PubChem (CID 123566006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).