tert-butyl N-[2-[2-[[(1-benzyl-5-oxopyrrolidine-3-carbonyl)amino]methyl]anilino]-2-oxoethyl]carbamate

C26H32N4O5 — CID 108917989

IUPACtert-butyl N-[2-[2-[[(1-benzyl-5-oxopyrrolidine-3-carbonyl)amino]methyl]anilino]-2-oxoethyl]carbamate
SMILESCC(C)(C)OC(=O)NCC(=O)Nc1ccccc1CNC(=O)C1CC(=O)N(Cc2ccccc2)C1
InChIInChI=1S/C26H32N4O5/c1-26(2,3)35-25(34)28-15-22(31)29-21-12-8-7-11-19(21)14-27-24(33)20-13-23(32)30(17-20)16-18-9-5-4-6-10-18/h4-12,20H,13-17H2,1-3H3,(H,27,33)(H,28,34)(H,29,31)
InChIKeyZTNVFTASNSKICP-UHFFFAOYSA-N
MW480.57 g/mol
LogP2.81
Rot. Bonds8

About tert-butyl N-[2-[2-[[(1-benzyl-5-oxopyrrolidine-3-carbonyl)amino]methyl]anilino]-2-oxoethyl]carbamate

tert-butyl N-[2-[2-[[(1-benzyl-5-oxopyrrolidine-3-carbonyl)amino]methyl]anilino]-2-oxoethyl]carbamate (PubChem CID 108917989) has the molecular formula C26H32N4O5 and a molecular weight of 480.57 g/mol. Its IUPAC name is tert-butyl N-[2-[2-[[(1-benzyl-5-oxopyrrolidine-3-carbonyl)amino]methyl]anilino]-2-oxoethyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[2-[2-[[(1-benzyl-5-oxopyrrolidine-3-carbonyl)amino]methyl]anilino]-2-oxoethyl]carbamate
PubChem CID108917989
Molecular FormulaC26H32N4O5
Molecular Weight480.57 g/mol
Exact Mass480.24
IUPAC Nametert-butyl N-[2-[2-[[(1-benzyl-5-oxopyrrolidine-3-carbonyl)amino]methyl]anilino]-2-oxoethyl]carbamate
SMILESCC(C)(C)OC(=O)NCC(=O)Nc1ccccc1CNC(=O)C1CC(=O)N(Cc2ccccc2)C1
InChIInChI=1S/C26H32N4O5/c1-26(2,3)35-25(34)28-15-22(31)29-21-12-8-7-11-19(21)14-27-24(33)20-13-23(32)30(17-20)16-18-9-5-4-6-10-18/h4-12,20H,13-17H2,1-3H3,(H,27,33)(H,28,34)(H,29,31)
InChIKeyZTNVFTASNSKICP-UHFFFAOYSA-N
XLogP2.81
TPSA116.84 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500480.57
LogP ≤ 52.81
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze tert-butyl N-[2-[2-[[(1-benzyl-5-oxopyrrolidine-3-carbonyl)amino]methyl]anilino]-2-oxoethyl]carbamate with MolForge

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Related Compounds

tert-butyl N-[2-[3-[(1-benzyl-5-oxopyrrolidine-3-carbonyl)amino]anilino]-2-oxoethyl]carbamate
CID 108917137
tert-butyl N-[2-[4-[[(1-benzyl-5-oxopyrrolidine-3-carbonyl)amino]methyl]piperidin-1-yl]-2-oxoethyl]carbamate
CID 108916416
tert-butyl N-[2-[[1-(1-benzyl-5-oxopyrrolidine-3-carbonyl)piperidin-4-yl]methylamino]-2-oxoethyl]carbamate
CID 108916415
N-[2-[[(1-benzyl-5-oxopyrrolidine-3-carbonyl)amino]methyl]phenyl]pyridine-3-carboxamide
CID 108925934
1-benzyl-N-(2-tert-butylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 17396518
tert-butyl N-[2-[[2-[[2-(2-chlorophenyl)acetyl]amino]phenyl]methylamino]-2-oxoethyl]carbamate
CID 108918152
1-benzyl-N-[(2-chloro-4-methylphenyl)methyl]-5-oxopyrrolidine-3-carboxamide
CID 143820682
N-(2-benzylphenyl)-1-[(4-methylphenyl)methyl]-5-oxopyrrolidine-3-carboxamide
CID 42904791
tert-butyl N-[2-[2-[[[2-(2-methylphenyl)acetyl]amino]methyl]anilino]-2-oxoethyl]carbamate
CID 108918147
tert-butyl N-[2-oxo-2-[2-[(oxolane-2-carbonylamino)methyl]anilino]ethyl]carbamate
CID 108918059
tert-butyl N-[2-oxo-2-[2-[[(2,2,2-trifluoroacetyl)amino]methyl]anilino]ethyl]carbamate
CID 108917889
tert-butyl N-[2-[2-[[3-(2-chlorophenyl)propanoylamino]methyl]anilino]-2-oxoethyl]carbamate
CID 108918179

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[2-[2-[[(1-benzyl-5-oxopyrrolidine-3-carbonyl)amino]methyl]anilino]-2-oxoethyl]carbamate?
The IUPAC name of tert-butyl N-[2-[2-[[(1-benzyl-5-oxopyrrolidine-3-carbonyl)amino]methyl]anilino]-2-oxoethyl]carbamate (CID 108917989) is tert-butyl N-[2-[2-[[(1-benzyl-5-oxopyrrolidine-3-carbonyl)amino]methyl]anilino]-2-oxoethyl]carbamate.
What is the SMILES notation for tert-butyl N-[2-[2-[[(1-benzyl-5-oxopyrrolidine-3-carbonyl)amino]methyl]anilino]-2-oxoethyl]carbamate?
The canonical SMILES for tert-butyl N-[2-[2-[[(1-benzyl-5-oxopyrrolidine-3-carbonyl)amino]methyl]anilino]-2-oxoethyl]carbamate is CC(C)(C)OC(=O)NCC(=O)Nc1ccccc1CNC(=O)C1CC(=O)N(Cc2ccccc2)C1.
What is the InChIKey of tert-butyl N-[2-[2-[[(1-benzyl-5-oxopyrrolidine-3-carbonyl)amino]methyl]anilino]-2-oxoethyl]carbamate?
The InChIKey is ZTNVFTASNSKICP-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H32N4O5/c1-26(2,3)35-25(34)28-15-22(31)29-21-12-8-7-11-19(21)14-27-24(33)20-13-23(32)30(17-20)16-18-9-5-4-6-10-18/h4-12,20H,13-17H2,1-3H3,(H,27,33)(H,28,34)(H,29,31).
What are the key properties of tert-butyl N-[2-[2-[[(1-benzyl-5-oxopyrrolidine-3-carbonyl)amino]methyl]anilino]-2-oxoethyl]carbamate?
tert-butyl N-[2-[2-[[(1-benzyl-5-oxopyrrolidine-3-carbonyl)amino]methyl]anilino]-2-oxoethyl]carbamate has a molecular weight of 480.57 g/mol, XLogP of 2.81, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[2-[2-[[(1-benzyl-5-oxopyrrolidine-3-carbonyl)amino]methyl]anilino]-2-oxoethyl]carbamate is sourced from PubChem (CID 108917989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).