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

C25H30N4O5 — CID 108917137

IUPACtert-butyl N-[2-[3-[(1-benzyl-5-oxopyrrolidine-3-carbonyl)amino]anilino]-2-oxoethyl]carbamate
SMILESCC(C)(C)OC(=O)NCC(=O)Nc1cccc(NC(=O)C2CC(=O)N(Cc3ccccc3)C2)c1
InChIInChI=1S/C25H30N4O5/c1-25(2,3)34-24(33)26-14-21(30)27-19-10-7-11-20(13-19)28-23(32)18-12-22(31)29(16-18)15-17-8-5-4-6-9-17/h4-11,13,18H,12,14-16H2,1-3H3,(H,26,33)(H,27,30)(H,28,32)
InChIKeyVIOINNULPBWMQU-UHFFFAOYSA-N
MW466.54 g/mol
LogP3.14
Rot. Bonds7

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

tert-butyl N-[2-[3-[(1-benzyl-5-oxopyrrolidine-3-carbonyl)amino]anilino]-2-oxoethyl]carbamate (PubChem CID 108917137) has the molecular formula C25H30N4O5 and a molecular weight of 466.54 g/mol. Its IUPAC name is tert-butyl N-[2-[3-[(1-benzyl-5-oxopyrrolidine-3-carbonyl)amino]anilino]-2-oxoethyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[2-[3-[(1-benzyl-5-oxopyrrolidine-3-carbonyl)amino]anilino]-2-oxoethyl]carbamate
PubChem CID108917137
Molecular FormulaC25H30N4O5
Molecular Weight466.54 g/mol
Exact Mass466.22
IUPAC Nametert-butyl N-[2-[3-[(1-benzyl-5-oxopyrrolidine-3-carbonyl)amino]anilino]-2-oxoethyl]carbamate
SMILESCC(C)(C)OC(=O)NCC(=O)Nc1cccc(NC(=O)C2CC(=O)N(Cc3ccccc3)C2)c1
InChIInChI=1S/C25H30N4O5/c1-25(2,3)34-24(33)26-14-21(30)27-19-10-7-11-20(13-19)28-23(32)18-12-22(31)29(16-18)15-17-8-5-4-6-9-17/h4-11,13,18H,12,14-16H2,1-3H3,(H,26,33)(H,27,30)(H,28,32)
InChIKeyVIOINNULPBWMQU-UHFFFAOYSA-N
XLogP3.14
TPSA116.84 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500466.54
LogP ≤ 53.14
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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

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Related Compounds

tert-butyl N-[2-[2-[[(1-benzyl-5-oxopyrrolidine-3-carbonyl)amino]methyl]anilino]-2-oxoethyl]carbamate
CID 108917989
tert-butyl N-[2-[3-(cyclopropanecarbonylamino)anilino]-2-oxoethyl]carbamate
CID 108917170
(3S)-1-benzyl-N-(3-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 34363990
3-[[1-[(4-methylphenyl)methyl]-5-oxopyrrolidine-3-carbonyl]amino]benzoic acid
CID 50928066
tert-butyl N-[2-[[1-(1-benzyl-5-oxopyrrolidine-3-carbonyl)piperidin-4-yl]methylamino]-2-oxoethyl]carbamate
CID 108916415
tert-butyl N-[2-[4-[[(1-benzyl-5-oxopyrrolidine-3-carbonyl)amino]methyl]piperidin-1-yl]-2-oxoethyl]carbamate
CID 108916416
methyl 4-[[(3R)-1-benzyl-5-oxopyrrolidine-3-carbonyl]amino]benzoate
CID 8018544
N-(3-acetamidophenyl)-5-oxo-1-(pyridin-4-ylmethyl)pyrrolidine-3-carboxamide
CID 113184138
(3R)-N-(3-acetamidophenyl)-1-[(4-chlorophenyl)methyl]-5-oxopyrrolidine-3-carboxamide
CID 29130415
methyl 4-[[(3S)-1-benzyl-5-oxopyrrolidine-3-carbonyl]amino]benzoate
CID 8018551
(3R)-1-[(4-methoxyphenyl)methyl]-5-oxo-N-phenylpyrrolidine-3-carboxamide
CID 35672749
1-benzyl-N-(2-tert-butylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 17396518

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[2-[3-[(1-benzyl-5-oxopyrrolidine-3-carbonyl)amino]anilino]-2-oxoethyl]carbamate?
The IUPAC name of tert-butyl N-[2-[3-[(1-benzyl-5-oxopyrrolidine-3-carbonyl)amino]anilino]-2-oxoethyl]carbamate (CID 108917137) is tert-butyl N-[2-[3-[(1-benzyl-5-oxopyrrolidine-3-carbonyl)amino]anilino]-2-oxoethyl]carbamate.
What is the SMILES notation for tert-butyl N-[2-[3-[(1-benzyl-5-oxopyrrolidine-3-carbonyl)amino]anilino]-2-oxoethyl]carbamate?
The canonical SMILES for tert-butyl N-[2-[3-[(1-benzyl-5-oxopyrrolidine-3-carbonyl)amino]anilino]-2-oxoethyl]carbamate is CC(C)(C)OC(=O)NCC(=O)Nc1cccc(NC(=O)C2CC(=O)N(Cc3ccccc3)C2)c1.
What is the InChIKey of tert-butyl N-[2-[3-[(1-benzyl-5-oxopyrrolidine-3-carbonyl)amino]anilino]-2-oxoethyl]carbamate?
The InChIKey is VIOINNULPBWMQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H30N4O5/c1-25(2,3)34-24(33)26-14-21(30)27-19-10-7-11-20(13-19)28-23(32)18-12-22(31)29(16-18)15-17-8-5-4-6-9-17/h4-11,13,18H,12,14-16H2,1-3H3,(H,26,33)(H,27,30)(H,28,32).
What are the key properties of tert-butyl N-[2-[3-[(1-benzyl-5-oxopyrrolidine-3-carbonyl)amino]anilino]-2-oxoethyl]carbamate?
tert-butyl N-[2-[3-[(1-benzyl-5-oxopyrrolidine-3-carbonyl)amino]anilino]-2-oxoethyl]carbamate has a molecular weight of 466.54 g/mol, XLogP of 3.14, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[2-[3-[(1-benzyl-5-oxopyrrolidine-3-carbonyl)amino]anilino]-2-oxoethyl]carbamate is sourced from PubChem (CID 108917137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).