tert-butyl N-[6-[[2-(1-benzyl-5-oxopyrrolidin-2-yl)-2-oxoacetyl]amino]hexyl]carbamate

C24H35N3O5 — CID 139329154

IUPACtert-butyl N-[6-[[2-(1-benzyl-5-oxopyrrolidin-2-yl)-2-oxoacetyl]amino]hexyl]carbamate
SMILESCC(C)(C)OC(=O)NCCCCCCNC(=O)C(=O)C1CCC(=O)N1Cc1ccccc1
InChIInChI=1S/C24H35N3O5/c1-24(2,3)32-23(31)26-16-10-5-4-9-15-25-22(30)21(29)19-13-14-20(28)27(19)17-18-11-7-6-8-12-18/h6-8,11-12,19H,4-5,9-10,13-17H2,1-3H3,(H,25,30)(H,26,31)
InChIKeyGRICTFMWJSPWRH-UHFFFAOYSA-N
MW445.56 g/mol
LogP2.95
Rot. Bonds11

About tert-butyl N-[6-[[2-(1-benzyl-5-oxopyrrolidin-2-yl)-2-oxoacetyl]amino]hexyl]carbamate

tert-butyl N-[6-[[2-(1-benzyl-5-oxopyrrolidin-2-yl)-2-oxoacetyl]amino]hexyl]carbamate (PubChem CID 139329154) has the molecular formula C24H35N3O5 and a molecular weight of 445.56 g/mol. Its IUPAC name is tert-butyl N-[6-[[2-(1-benzyl-5-oxopyrrolidin-2-yl)-2-oxoacetyl]amino]hexyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[6-[[2-(1-benzyl-5-oxopyrrolidin-2-yl)-2-oxoacetyl]amino]hexyl]carbamate
PubChem CID139329154
Molecular FormulaC24H35N3O5
Molecular Weight445.56 g/mol
Exact Mass445.26
IUPAC Nametert-butyl N-[6-[[2-(1-benzyl-5-oxopyrrolidin-2-yl)-2-oxoacetyl]amino]hexyl]carbamate
SMILESCC(C)(C)OC(=O)NCCCCCCNC(=O)C(=O)C1CCC(=O)N1Cc1ccccc1
InChIInChI=1S/C24H35N3O5/c1-24(2,3)32-23(31)26-16-10-5-4-9-15-25-22(30)21(29)19-13-14-20(28)27(19)17-18-11-7-6-8-12-18/h6-8,11-12,19H,4-5,9-10,13-17H2,1-3H3,(H,25,30)(H,26,31)
InChIKeyGRICTFMWJSPWRH-UHFFFAOYSA-N
XLogP2.95
TPSA104.81 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500445.56
LogP ≤ 52.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze tert-butyl N-[6-[[2-(1-benzyl-5-oxopyrrolidin-2-yl)-2-oxoacetyl]amino]hexyl]carbamate 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

2-[(2R)-1-benzyl-5-oxopyrrolidin-2-yl]-N-(5-methyl-4-oxohexyl)-2-oxoacetamide
CID 157240893
2-[(2R)-1-benzyl-5-oxopyrrolidin-2-yl]-N-ethyl-2-oxoacetamide
CID 139335049
2-[(2R)-1-benzyl-5-oxopyrrolidin-2-yl]-2-oxo-N-(2-propan-2-yloxyethyl)acetamide
CID 139329088
2-(1-benzyl-5-oxopyrrolidin-2-yl)-N-(cyclopropylmethyl)-2-oxoacetamide
CID 134349862
2-[(2R)-1-benzyl-5-oxopyrrolidin-2-yl]-N-methyl-2-oxoacetamide
CID 139335095
2-(1-benzyl-5-oxopyrrolidin-2-yl)-N-cyclopropyl-2-oxoacetamide
CID 139335074
2-[(2R)-1-benzyl-5-oxopyrrolidin-2-yl]-N-cyclobutyl-2-oxoacetamide
CID 134349466
methyl 1-[3-[(2-methylpropan-2-yl)oxycarbonylamino]propyl]-5-oxopyrrolidine-2-carboxylate
CID 153361350
benzyl N-[5-[(2-methylpropan-2-yl)oxycarbonylamino]pentyl]carbamate
CID 15286885
tert-butyl N-[6-(benzylamino)hexyl]carbamate
CID 10913810
tert-butyl N-[2-[(3R)-1-benzylpyrrolidin-3-yl]ethyl]carbamate
CID 97170435
N-(azetidin-1-ium-3-yl)-2-[(2R)-1-benzyl-5-oxopyrrolidin-2-yl]-2-oxoacetamide;2,2,2-trifluoroacetate
CID 134349683

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[6-[[2-(1-benzyl-5-oxopyrrolidin-2-yl)-2-oxoacetyl]amino]hexyl]carbamate?
The IUPAC name of tert-butyl N-[6-[[2-(1-benzyl-5-oxopyrrolidin-2-yl)-2-oxoacetyl]amino]hexyl]carbamate (CID 139329154) is tert-butyl N-[6-[[2-(1-benzyl-5-oxopyrrolidin-2-yl)-2-oxoacetyl]amino]hexyl]carbamate.
What is the SMILES notation for tert-butyl N-[6-[[2-(1-benzyl-5-oxopyrrolidin-2-yl)-2-oxoacetyl]amino]hexyl]carbamate?
The canonical SMILES for tert-butyl N-[6-[[2-(1-benzyl-5-oxopyrrolidin-2-yl)-2-oxoacetyl]amino]hexyl]carbamate is CC(C)(C)OC(=O)NCCCCCCNC(=O)C(=O)C1CCC(=O)N1Cc1ccccc1.
What is the InChIKey of tert-butyl N-[6-[[2-(1-benzyl-5-oxopyrrolidin-2-yl)-2-oxoacetyl]amino]hexyl]carbamate?
The InChIKey is GRICTFMWJSPWRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H35N3O5/c1-24(2,3)32-23(31)26-16-10-5-4-9-15-25-22(30)21(29)19-13-14-20(28)27(19)17-18-11-7-6-8-12-18/h6-8,11-12,19H,4-5,9-10,13-17H2,1-3H3,(H,25,30)(H,26,31).
What are the key properties of tert-butyl N-[6-[[2-(1-benzyl-5-oxopyrrolidin-2-yl)-2-oxoacetyl]amino]hexyl]carbamate?
tert-butyl N-[6-[[2-(1-benzyl-5-oxopyrrolidin-2-yl)-2-oxoacetyl]amino]hexyl]carbamate has a molecular weight of 445.56 g/mol, XLogP of 2.95, 11 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[6-[[2-(1-benzyl-5-oxopyrrolidin-2-yl)-2-oxoacetyl]amino]hexyl]carbamate is sourced from PubChem (CID 139329154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).