tert-butyl N-[[3-[[1-(2-methoxyphenyl)-5-oxopyrrolidine-3-carbonyl]amino]phenyl]methyl]-N-methylcarbamate

C25H31N3O5 — CID 55850555

IUPACtert-butyl N-[[3-[[1-(2-methoxyphenyl)-5-oxopyrrolidine-3-carbonyl]amino]phenyl]methyl]-N-methylcarbamate
SMILESCOc1ccccc1N1CC(C(=O)Nc2cccc(CN(C)C(=O)OC(C)(C)C)c2)CC1=O
InChIInChI=1S/C25H31N3O5/c1-25(2,3)33-24(31)27(4)15-17-9-8-10-19(13-17)26-23(30)18-14-22(29)28(16-18)20-11-6-7-12-21(20)32-5/h6-13,18H,14-16H2,1-5H3,(H,26,30)
InChIKeyDNYUSLSSOXQSSU-UHFFFAOYSA-N
MW453.54 g/mol
LogP4.05
Rot. Bonds6

About tert-butyl N-[[3-[[1-(2-methoxyphenyl)-5-oxopyrrolidine-3-carbonyl]amino]phenyl]methyl]-N-methylcarbamate

tert-butyl N-[[3-[[1-(2-methoxyphenyl)-5-oxopyrrolidine-3-carbonyl]amino]phenyl]methyl]-N-methylcarbamate (PubChem CID 55850555) has the molecular formula C25H31N3O5 and a molecular weight of 453.54 g/mol. Its IUPAC name is tert-butyl N-[[3-[[1-(2-methoxyphenyl)-5-oxopyrrolidine-3-carbonyl]amino]phenyl]methyl]-N-methylcarbamate.

Molecular Properties

Compound Nametert-butyl N-[[3-[[1-(2-methoxyphenyl)-5-oxopyrrolidine-3-carbonyl]amino]phenyl]methyl]-N-methylcarbamate
PubChem CID55850555
Molecular FormulaC25H31N3O5
Molecular Weight453.54 g/mol
Exact Mass453.23
IUPAC Nametert-butyl N-[[3-[[1-(2-methoxyphenyl)-5-oxopyrrolidine-3-carbonyl]amino]phenyl]methyl]-N-methylcarbamate
SMILESCOc1ccccc1N1CC(C(=O)Nc2cccc(CN(C)C(=O)OC(C)(C)C)c2)CC1=O
InChIInChI=1S/C25H31N3O5/c1-25(2,3)33-24(31)27(4)15-17-9-8-10-19(13-17)26-23(30)18-14-22(29)28(16-18)20-11-6-7-12-21(20)32-5/h6-13,18H,14-16H2,1-5H3,(H,26,30)
InChIKeyDNYUSLSSOXQSSU-UHFFFAOYSA-N
XLogP4.05
TPSA88.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500453.54
LogP ≤ 54.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze tert-butyl N-[[3-[[1-(2-methoxyphenyl)-5-oxopyrrolidine-3-carbonyl]amino]phenyl]methyl]-N-methylcarbamate 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-[3-[[acetyl(methyl)amino]methyl]phenyl]-1-(2-ethylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 55653934
tert-butyl N-methyl-N-[[3-[[5-oxo-1-(2,2,2-trifluoroethyl)pyrrolidine-3-carbonyl]amino]phenyl]methyl]carbamate
CID 55850560
N-(3,4-dimethoxyphenyl)-1-(2-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 51159017
(3S)-N-(3,4-dimethylphenyl)-1-(2-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 26915395
(3S)-1-(2-methoxyphenyl)-N-naphthalen-2-yl-5-oxopyrrolidine-3-carboxamide
CID 8762200
(3R)-N-(1,3-benzodioxol-5-yl)-1-(2-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 2572856
tert-butyl N-[[3-[(2,2-dichlorocyclopropanecarbonyl)amino]phenyl]methyl]-N-methylcarbamate
CID 78866397
(3S)-N-(4-iodophenyl)-1-(2-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 1260458
N-(4-iodophenyl)-1-(2-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 2964415
(3S)-N-(4-bromo-3-methylphenyl)-1-(2-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 7831657
1-(2-chlorophenyl)-N-(3-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 2967716
N-(3-methoxyphenyl)-1-(2-methylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 18885956

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[[3-[[1-(2-methoxyphenyl)-5-oxopyrrolidine-3-carbonyl]amino]phenyl]methyl]-N-methylcarbamate?
The IUPAC name of tert-butyl N-[[3-[[1-(2-methoxyphenyl)-5-oxopyrrolidine-3-carbonyl]amino]phenyl]methyl]-N-methylcarbamate (CID 55850555) is tert-butyl N-[[3-[[1-(2-methoxyphenyl)-5-oxopyrrolidine-3-carbonyl]amino]phenyl]methyl]-N-methylcarbamate.
What is the SMILES notation for tert-butyl N-[[3-[[1-(2-methoxyphenyl)-5-oxopyrrolidine-3-carbonyl]amino]phenyl]methyl]-N-methylcarbamate?
The canonical SMILES for tert-butyl N-[[3-[[1-(2-methoxyphenyl)-5-oxopyrrolidine-3-carbonyl]amino]phenyl]methyl]-N-methylcarbamate is COc1ccccc1N1CC(C(=O)Nc2cccc(CN(C)C(=O)OC(C)(C)C)c2)CC1=O.
What is the InChIKey of tert-butyl N-[[3-[[1-(2-methoxyphenyl)-5-oxopyrrolidine-3-carbonyl]amino]phenyl]methyl]-N-methylcarbamate?
The InChIKey is DNYUSLSSOXQSSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H31N3O5/c1-25(2,3)33-24(31)27(4)15-17-9-8-10-19(13-17)26-23(30)18-14-22(29)28(16-18)20-11-6-7-12-21(20)32-5/h6-13,18H,14-16H2,1-5H3,(H,26,30).
What are the key properties of tert-butyl N-[[3-[[1-(2-methoxyphenyl)-5-oxopyrrolidine-3-carbonyl]amino]phenyl]methyl]-N-methylcarbamate?
tert-butyl N-[[3-[[1-(2-methoxyphenyl)-5-oxopyrrolidine-3-carbonyl]amino]phenyl]methyl]-N-methylcarbamate has a molecular weight of 453.54 g/mol, XLogP of 4.05, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[[3-[[1-(2-methoxyphenyl)-5-oxopyrrolidine-3-carbonyl]amino]phenyl]methyl]-N-methylcarbamate is sourced from PubChem (CID 55850555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).