tert-butyl N-[2-[2-(4-methoxybenzoyl)-5-oxopyrrolidin-1-yl]ethyl]carbamate

C19H26N2O5 — CID 101496427

IUPACtert-butyl N-[2-[2-(4-methoxybenzoyl)-5-oxopyrrolidin-1-yl]ethyl]carbamate
SMILESCOc1ccc(C(=O)C2CCC(=O)N2CCNC(=O)OC(C)(C)C)cc1
InChIInChI=1S/C19H26N2O5/c1-19(2,3)26-18(24)20-11-12-21-15(9-10-16(21)22)17(23)13-5-7-14(25-4)8-6-13/h5-8,15H,9-12H2,1-4H3,(H,20,24)
InChIKeyVHGAMNIVISOLKB-UHFFFAOYSA-N
MW362.43 g/mol
LogP2.39
Rot. Bonds6

About tert-butyl N-[2-[2-(4-methoxybenzoyl)-5-oxopyrrolidin-1-yl]ethyl]carbamate

tert-butyl N-[2-[2-(4-methoxybenzoyl)-5-oxopyrrolidin-1-yl]ethyl]carbamate (PubChem CID 101496427) has the molecular formula C19H26N2O5 and a molecular weight of 362.43 g/mol. Its IUPAC name is tert-butyl N-[2-[2-(4-methoxybenzoyl)-5-oxopyrrolidin-1-yl]ethyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[2-[2-(4-methoxybenzoyl)-5-oxopyrrolidin-1-yl]ethyl]carbamate
PubChem CID101496427
Molecular FormulaC19H26N2O5
Molecular Weight362.43 g/mol
Exact Mass362.18
IUPAC Nametert-butyl N-[2-[2-(4-methoxybenzoyl)-5-oxopyrrolidin-1-yl]ethyl]carbamate
SMILESCOc1ccc(C(=O)C2CCC(=O)N2CCNC(=O)OC(C)(C)C)cc1
InChIInChI=1S/C19H26N2O5/c1-19(2,3)26-18(24)20-11-12-21-15(9-10-16(21)22)17(23)13-5-7-14(25-4)8-6-13/h5-8,15H,9-12H2,1-4H3,(H,20,24)
InChIKeyVHGAMNIVISOLKB-UHFFFAOYSA-N
XLogP2.39
TPSA84.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.43
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze tert-butyl N-[2-[2-(4-methoxybenzoyl)-5-oxopyrrolidin-1-yl]ethyl]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

ZD-0892
CID 9892148
2-(Pyrrolidin-1-yl)-1-(4-methoxyphenyl)pentan-1-one
CID 11299968
4-Methoxy-alpha-phpp
CID 102144586
tert-butyl N-[(2R)-1-[4-[3-[4-(cyclopropanecarbonyl)phenoxy]propyl]piperazin-1-yl]-1-oxo-3-phenylpropan-2-yl]carbamate
CID 44304327
tert-butyl N-[(2S)-1-[4-[3-(4-hexanoylphenoxy)propyl]piperazin-1-yl]-3-methyl-1-oxobutan-2-yl]carbamate
CID 44304393
tert-butyl N-[(2R)-1-[4-[3-(4-hexanoylphenoxy)propyl]piperazin-1-yl]-3-methyl-1-oxobutan-2-yl]carbamate
CID 44304412
tert-butyl N-[(2S)-1-[4-[3-(4-hexanoylphenoxy)propyl]piperazin-1-yl]-4-methyl-1-oxopentan-2-yl]carbamate
CID 44304445
tert-butyl N-[(2R)-1-[4-[3-(4-hexanoylphenoxy)propyl]piperazin-1-yl]-4-methyl-1-oxopentan-2-yl]carbamate
CID 44304449
tert-butyl N-[(2R)-1-[4-[3-(4-hexanoylphenoxy)propyl]piperazin-1-yl]-1-oxopropan-2-yl]carbamate
CID 44304494
tert-butyl N-[(2R)-1-[4-[3-[4-(cyclopropanecarbonyl)phenoxy]propyl]piperazin-1-yl]-1-oxopropan-2-yl]carbamate
CID 44304752
tert-butyl N-[3-[(1S,4S)-5-[3-[4-(cyclopropanecarbonyl)phenoxy]propyl]-2,5-diazabicyclo[2.2.1]heptan-2-yl]-3-oxopropyl]carbamate
CID 44334183
ethyl 4-[2-[4-[3-[(2R)-2-methylpyrrolidin-1-yl]propoxy]phenyl]-2-oxoethyl]piperazine-1-carboxylate
CID 68269759

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[2-[2-(4-methoxybenzoyl)-5-oxopyrrolidin-1-yl]ethyl]carbamate?
The IUPAC name of tert-butyl N-[2-[2-(4-methoxybenzoyl)-5-oxopyrrolidin-1-yl]ethyl]carbamate (CID 101496427) is tert-butyl N-[2-[2-(4-methoxybenzoyl)-5-oxopyrrolidin-1-yl]ethyl]carbamate.
What is the SMILES notation for tert-butyl N-[2-[2-(4-methoxybenzoyl)-5-oxopyrrolidin-1-yl]ethyl]carbamate?
The canonical SMILES for tert-butyl N-[2-[2-(4-methoxybenzoyl)-5-oxopyrrolidin-1-yl]ethyl]carbamate is COc1ccc(C(=O)C2CCC(=O)N2CCNC(=O)OC(C)(C)C)cc1.
What is the InChIKey of tert-butyl N-[2-[2-(4-methoxybenzoyl)-5-oxopyrrolidin-1-yl]ethyl]carbamate?
The InChIKey is VHGAMNIVISOLKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N2O5/c1-19(2,3)26-18(24)20-11-12-21-15(9-10-16(21)22)17(23)13-5-7-14(25-4)8-6-13/h5-8,15H,9-12H2,1-4H3,(H,20,24).
What are the key properties of tert-butyl N-[2-[2-(4-methoxybenzoyl)-5-oxopyrrolidin-1-yl]ethyl]carbamate?
tert-butyl N-[2-[2-(4-methoxybenzoyl)-5-oxopyrrolidin-1-yl]ethyl]carbamate has a molecular weight of 362.43 g/mol, XLogP of 2.39, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[2-[2-(4-methoxybenzoyl)-5-oxopyrrolidin-1-yl]ethyl]carbamate is sourced from PubChem (CID 101496427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).