tert-butyl N-[1,3-bis(4-methoxyphenyl)-5-oxopyrrolidin-2-yl]carbamate

C23H28N2O5 — CID 175099449

IUPACtert-butyl N-[1,3-bis(4-methoxyphenyl)-5-oxopyrrolidin-2-yl]carbamate
SMILESCOc1ccc(C2CC(=O)N(c3ccc(OC)cc3)C2NC(=O)OC(C)(C)C)cc1
InChIInChI=1S/C23H28N2O5/c1-23(2,3)30-22(27)24-21-19(15-6-10-17(28-4)11-7-15)14-20(26)25(21)16-8-12-18(29-5)13-9-16/h6-13,19,21H,14H2,1-5H3,(H,24,27)
InChIKeyRLZMDFPBAJUZRI-UHFFFAOYSA-N
MW412.49 g/mol
LogP4.08
Rot. Bonds5

About tert-butyl N-[1,3-bis(4-methoxyphenyl)-5-oxopyrrolidin-2-yl]carbamate

tert-butyl N-[1,3-bis(4-methoxyphenyl)-5-oxopyrrolidin-2-yl]carbamate (PubChem CID 175099449) has the molecular formula C23H28N2O5 and a molecular weight of 412.49 g/mol. Its IUPAC name is tert-butyl N-[1,3-bis(4-methoxyphenyl)-5-oxopyrrolidin-2-yl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[1,3-bis(4-methoxyphenyl)-5-oxopyrrolidin-2-yl]carbamate
PubChem CID175099449
Molecular FormulaC23H28N2O5
Molecular Weight412.49 g/mol
Exact Mass412.20
IUPAC Nametert-butyl N-[1,3-bis(4-methoxyphenyl)-5-oxopyrrolidin-2-yl]carbamate
SMILESCOc1ccc(C2CC(=O)N(c3ccc(OC)cc3)C2NC(=O)OC(C)(C)C)cc1
InChIInChI=1S/C23H28N2O5/c1-23(2,3)30-22(27)24-21-19(15-6-10-17(28-4)11-7-15)14-20(26)25(21)16-8-12-18(29-5)13-9-16/h6-13,19,21H,14H2,1-5H3,(H,24,27)
InChIKeyRLZMDFPBAJUZRI-UHFFFAOYSA-N
XLogP4.08
TPSA77.10 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.49
LogP ≤ 54.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze tert-butyl N-[1,3-bis(4-methoxyphenyl)-5-oxopyrrolidin-2-yl]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

tert-butyl N-[(2S,3S)-3-(4-methoxyphenyl)-5-oxopyrrolidin-2-yl]carbamate
CID 135251327
tert-butyl N-[(3S)-4-(4-methoxyphenyl)-6-oxopiperidin-3-yl]carbamate
CID 134361248
tert-butyl N-[(3S,4S)-4-(4-methoxyphenyl)pyrrolidin-3-yl]carbamate
CID 95240515
1,2-bis(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxylic acid
CID 3244527
tert-butyl N-[[(3R)-1-(4-methoxyphenyl)-2,5-dioxopyrrolidin-3-yl]amino]carbamate
CID 92542330
tert-butyl N-[(3S,4S)-4-(4-methoxyphenyl)piperidin-3-yl]carbamate
CID 140853603
tert-butyl N-[(3S,4R)-1-(4-methoxyphenyl)-2-oxo-4-(2-phenylethyl)azetidin-3-yl]carbamate
CID 10715774
tert-butyl N-[2-(4-methoxyphenyl)-1,3-dioxo-4,4a,5,6,7,8-hexahydropyrido[1,2-c]pyrimidin-5-yl]carbamate
CID 10982006
tert-butyl N-[(1S)-1-[(4R)-3-(4-methoxyphenyl)-2,5-dioxo-1,3-oxazolidin-4-yl]-2-methylpropyl]carbamate
CID 10068224
tert-butyl N-[(1R,2S,3S,4S)-3-hydroxy-2-(4-methoxyphenyl)-1-oxothian-4-yl]carbamate
CID 11142803
tert-butyl N-[(3S,4S,5S)-2-hydroxy-5-(4-methoxyphenyl)-4-methyloxolan-3-yl]carbamate
CID 10336313
tert-butyl N-[3-[(4-methoxyphenyl)methylamino]cyclobutyl]carbamate
CID 103759298

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[1,3-bis(4-methoxyphenyl)-5-oxopyrrolidin-2-yl]carbamate?
The IUPAC name of tert-butyl N-[1,3-bis(4-methoxyphenyl)-5-oxopyrrolidin-2-yl]carbamate (CID 175099449) is tert-butyl N-[1,3-bis(4-methoxyphenyl)-5-oxopyrrolidin-2-yl]carbamate.
What is the SMILES notation for tert-butyl N-[1,3-bis(4-methoxyphenyl)-5-oxopyrrolidin-2-yl]carbamate?
The canonical SMILES for tert-butyl N-[1,3-bis(4-methoxyphenyl)-5-oxopyrrolidin-2-yl]carbamate is COc1ccc(C2CC(=O)N(c3ccc(OC)cc3)C2NC(=O)OC(C)(C)C)cc1.
What is the InChIKey of tert-butyl N-[1,3-bis(4-methoxyphenyl)-5-oxopyrrolidin-2-yl]carbamate?
The InChIKey is RLZMDFPBAJUZRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N2O5/c1-23(2,3)30-22(27)24-21-19(15-6-10-17(28-4)11-7-15)14-20(26)25(21)16-8-12-18(29-5)13-9-16/h6-13,19,21H,14H2,1-5H3,(H,24,27).
What are the key properties of tert-butyl N-[1,3-bis(4-methoxyphenyl)-5-oxopyrrolidin-2-yl]carbamate?
tert-butyl N-[1,3-bis(4-methoxyphenyl)-5-oxopyrrolidin-2-yl]carbamate has a molecular weight of 412.49 g/mol, XLogP of 4.08, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[1,3-bis(4-methoxyphenyl)-5-oxopyrrolidin-2-yl]carbamate is sourced from PubChem (CID 175099449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).