tert-butyl N-[4-[2-oxo-2-[3-(2-oxopyrrolidin-1-yl)anilino]ethyl]phenyl]carbamate

C23H27N3O4 — CID 46556759

IUPACtert-butyl N-[4-[2-oxo-2-[3-(2-oxopyrrolidin-1-yl)anilino]ethyl]phenyl]carbamate
SMILESCC(C)(C)OC(=O)Nc1ccc(CC(=O)Nc2cccc(N3CCCC3=O)c2)cc1
InChIInChI=1S/C23H27N3O4/c1-23(2,3)30-22(29)25-17-11-9-16(10-12-17)14-20(27)24-18-6-4-7-19(15-18)26-13-5-8-21(26)28/h4,6-7,9-12,15H,5,8,13-14H2,1-3H3,(H,24,27)(H,25,29)
InChIKeyKHAVTHVQWKCBTB-UHFFFAOYSA-N
MW409.49 g/mol
LogP4.34
Rot. Bonds5

About tert-butyl N-[4-[2-oxo-2-[3-(2-oxopyrrolidin-1-yl)anilino]ethyl]phenyl]carbamate

tert-butyl N-[4-[2-oxo-2-[3-(2-oxopyrrolidin-1-yl)anilino]ethyl]phenyl]carbamate (PubChem CID 46556759) has the molecular formula C23H27N3O4 and a molecular weight of 409.49 g/mol. Its IUPAC name is tert-butyl N-[4-[2-oxo-2-[3-(2-oxopyrrolidin-1-yl)anilino]ethyl]phenyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[4-[2-oxo-2-[3-(2-oxopyrrolidin-1-yl)anilino]ethyl]phenyl]carbamate
PubChem CID46556759
Molecular FormulaC23H27N3O4
Molecular Weight409.49 g/mol
Exact Mass409.20
IUPAC Nametert-butyl N-[4-[2-oxo-2-[3-(2-oxopyrrolidin-1-yl)anilino]ethyl]phenyl]carbamate
SMILESCC(C)(C)OC(=O)Nc1ccc(CC(=O)Nc2cccc(N3CCCC3=O)c2)cc1
InChIInChI=1S/C23H27N3O4/c1-23(2,3)30-22(29)25-17-11-9-16(10-12-17)14-20(27)24-18-6-4-7-19(15-18)26-13-5-8-21(26)28/h4,6-7,9-12,15H,5,8,13-14H2,1-3H3,(H,24,27)(H,25,29)
InChIKeyKHAVTHVQWKCBTB-UHFFFAOYSA-N
XLogP4.34
TPSA87.74 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.49
LogP ≤ 54.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-bromophenyl)-N-[3-(2-oxopiperidin-1-yl)phenyl]acetamide
CID 46425011
3-[2-oxo-2-[3-(2-oxopiperidin-1-yl)anilino]ethyl]benzoic acid
CID 120549405
2-(4-acetamidophenyl)sulfanyl-N-[3-(2-oxopyrrolidin-1-yl)phenyl]acetamide
CID 36562536
[2-oxo-2-[3-(2-oxopyrrolidin-1-yl)anilino]ethyl] 2,2-dimethylpropanoate
CID 7686879
N-(3-bromophenyl)-2-[4-(2-oxopyrrolidin-1-yl)phenyl]acetamide
CID 9038771
2-[3-(2-oxopyrrolidin-1-yl)phenyl]-N-(4-pyridin-4-yloxyphenyl)acetamide
CID 166225103
N-(4-methoxyphenyl)-2-[4-(2-oxopyrrolidin-1-yl)phenyl]acetamide
CID 9042283
N-(4-methylphenyl)-N'-[3-(2-oxopyrrolidin-1-yl)phenyl]oxamide
CID 30679439
2-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]phenyl]-N-[3-(2-oxopiperidin-1-yl)phenyl]acetamide
CID 46404795
tert-butyl N-[3-[3-(2-oxopyrrolidin-1-yl)anilino]cyclobutyl]carbamate
CID 113256308
2-methyl-N-[3-(2-oxopyrrolidin-1-yl)phenyl]propanamide
CID 7686856
2-[4-(2-oxopyrrolidin-1-yl)phenyl]-N-(4-phenylphenyl)acetamide
CID 9206369

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[4-[2-oxo-2-[3-(2-oxopyrrolidin-1-yl)anilino]ethyl]phenyl]carbamate?
The IUPAC name of tert-butyl N-[4-[2-oxo-2-[3-(2-oxopyrrolidin-1-yl)anilino]ethyl]phenyl]carbamate (CID 46556759) is tert-butyl N-[4-[2-oxo-2-[3-(2-oxopyrrolidin-1-yl)anilino]ethyl]phenyl]carbamate.
What is the SMILES notation for tert-butyl N-[4-[2-oxo-2-[3-(2-oxopyrrolidin-1-yl)anilino]ethyl]phenyl]carbamate?
The canonical SMILES for tert-butyl N-[4-[2-oxo-2-[3-(2-oxopyrrolidin-1-yl)anilino]ethyl]phenyl]carbamate is CC(C)(C)OC(=O)Nc1ccc(CC(=O)Nc2cccc(N3CCCC3=O)c2)cc1.
What is the InChIKey of tert-butyl N-[4-[2-oxo-2-[3-(2-oxopyrrolidin-1-yl)anilino]ethyl]phenyl]carbamate?
The InChIKey is KHAVTHVQWKCBTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N3O4/c1-23(2,3)30-22(29)25-17-11-9-16(10-12-17)14-20(27)24-18-6-4-7-19(15-18)26-13-5-8-21(26)28/h4,6-7,9-12,15H,5,8,13-14H2,1-3H3,(H,24,27)(H,25,29).
What are the key properties of tert-butyl N-[4-[2-oxo-2-[3-(2-oxopyrrolidin-1-yl)anilino]ethyl]phenyl]carbamate?
tert-butyl N-[4-[2-oxo-2-[3-(2-oxopyrrolidin-1-yl)anilino]ethyl]phenyl]carbamate has a molecular weight of 409.49 g/mol, XLogP of 4.34, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[4-[2-oxo-2-[3-(2-oxopyrrolidin-1-yl)anilino]ethyl]phenyl]carbamate is sourced from PubChem (CID 46556759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).