tert-butyl N-[3-[3-(2-oxopyrrolidin-1-yl)anilino]cyclobutyl]carbamate

C19H27N3O3 — CID 113256308

IUPACtert-butyl N-[3-[3-(2-oxopyrrolidin-1-yl)anilino]cyclobutyl]carbamate
SMILESCC(C)(C)OC(=O)NC1CC(Nc2cccc(N3CCCC3=O)c2)C1
InChIInChI=1S/C19H27N3O3/c1-19(2,3)25-18(24)21-15-10-14(11-15)20-13-6-4-7-16(12-13)22-9-5-8-17(22)23/h4,6-7,12,14-15,20H,5,8-11H2,1-3H3,(H,21,24)
InChIKeyPJXZGCSPQRVQTG-UHFFFAOYSA-N
MW345.44 g/mol
LogP3.28
Rot. Bonds4

About tert-butyl N-[3-[3-(2-oxopyrrolidin-1-yl)anilino]cyclobutyl]carbamate

tert-butyl N-[3-[3-(2-oxopyrrolidin-1-yl)anilino]cyclobutyl]carbamate (PubChem CID 113256308) has the molecular formula C19H27N3O3 and a molecular weight of 345.44 g/mol. Its IUPAC name is tert-butyl N-[3-[3-(2-oxopyrrolidin-1-yl)anilino]cyclobutyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[3-[3-(2-oxopyrrolidin-1-yl)anilino]cyclobutyl]carbamate
PubChem CID113256308
Molecular FormulaC19H27N3O3
Molecular Weight345.44 g/mol
Exact Mass345.21
IUPAC Nametert-butyl N-[3-[3-(2-oxopyrrolidin-1-yl)anilino]cyclobutyl]carbamate
SMILESCC(C)(C)OC(=O)NC1CC(Nc2cccc(N3CCCC3=O)c2)C1
InChIInChI=1S/C19H27N3O3/c1-19(2,3)25-18(24)21-15-10-14(11-15)20-13-6-4-7-16(12-13)22-9-5-8-17(22)23/h4,6-7,12,14-15,20H,5,8-11H2,1-3H3,(H,21,24)
InChIKeyPJXZGCSPQRVQTG-UHFFFAOYSA-N
XLogP3.28
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.44
LogP ≤ 53.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-[3-(cyclopropylamino)phenyl]pyrrolidin-2-one
CID 103438856
tert-butyl N-[4-[2-oxo-2-[3-(2-oxopyrrolidin-1-yl)anilino]ethyl]phenyl]carbamate
CID 46556759
cis-(1R,2S)-2-methyl-N-[3-(2-oxopyrrolidin-1-yl)phenyl]cyclopropane-1-carboxamide
CID 51462133
tert-butyl N-[3-(3-propoxyanilino)cyclobutyl]carbamate
CID 103759438
tert-butyl N-[3-(3-methylanilino)cyclopentyl]carbamate
CID 79461940
tert-butyl N-[3-(3,4-dichloroanilino)cyclobutyl]carbamate
CID 80559110
tert-butyl N-[4-[3-[4-(trifluoromethyl)piperidin-1-yl]anilino]cyclohexyl]carbamate
CID 171775749
tert-butyl N-(2-oxo-1-phenylpiperidin-4-yl)carbamate
CID 118610098
1-[3-[(2,3-dimethylcyclohexyl)amino]phenyl]pyrrolidin-2-one
CID 64775979
tert-butyl N-[3-(3,5-difluoroanilino)cyclobutyl]carbamate
CID 80559388
2-methyl-N-[3-(2-oxopyrrolidin-1-yl)phenyl]propanamide
CID 7686856
tert-butyl N-[4-(3-methylanilino)cyclohexyl]carbamate
CID 103715317

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[3-[3-(2-oxopyrrolidin-1-yl)anilino]cyclobutyl]carbamate?
The IUPAC name of tert-butyl N-[3-[3-(2-oxopyrrolidin-1-yl)anilino]cyclobutyl]carbamate (CID 113256308) is tert-butyl N-[3-[3-(2-oxopyrrolidin-1-yl)anilino]cyclobutyl]carbamate.
What is the SMILES notation for tert-butyl N-[3-[3-(2-oxopyrrolidin-1-yl)anilino]cyclobutyl]carbamate?
The canonical SMILES for tert-butyl N-[3-[3-(2-oxopyrrolidin-1-yl)anilino]cyclobutyl]carbamate is CC(C)(C)OC(=O)NC1CC(Nc2cccc(N3CCCC3=O)c2)C1.
What is the InChIKey of tert-butyl N-[3-[3-(2-oxopyrrolidin-1-yl)anilino]cyclobutyl]carbamate?
The InChIKey is PJXZGCSPQRVQTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27N3O3/c1-19(2,3)25-18(24)21-15-10-14(11-15)20-13-6-4-7-16(12-13)22-9-5-8-17(22)23/h4,6-7,12,14-15,20H,5,8-11H2,1-3H3,(H,21,24).
What are the key properties of tert-butyl N-[3-[3-(2-oxopyrrolidin-1-yl)anilino]cyclobutyl]carbamate?
tert-butyl N-[3-[3-(2-oxopyrrolidin-1-yl)anilino]cyclobutyl]carbamate has a molecular weight of 345.44 g/mol, XLogP of 3.28, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[3-[3-(2-oxopyrrolidin-1-yl)anilino]cyclobutyl]carbamate is sourced from PubChem (CID 113256308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).