tert-butyl N-methyl-N-[4-oxo-4-(2-pyrrolidin-1-ylanilino)butyl]carbamate

C20H31N3O3 — CID 60595272

IUPACtert-butyl N-methyl-N-[4-oxo-4-(2-pyrrolidin-1-ylanilino)butyl]carbamate
SMILESCN(CCCC(=O)Nc1ccccc1N1CCCC1)C(=O)OC(C)(C)C
InChIInChI=1S/C20H31N3O3/c1-20(2,3)26-19(25)22(4)13-9-12-18(24)21-16-10-5-6-11-17(16)23-14-7-8-15-23/h5-6,10-11H,7-9,12-15H2,1-4H3,(H,21,24)
InChIKeyZWPZYIDHYSBAJY-UHFFFAOYSA-N
MW361.49 g/mol
LogP3.87
Rot. Bonds6

About tert-butyl N-methyl-N-[4-oxo-4-(2-pyrrolidin-1-ylanilino)butyl]carbamate

tert-butyl N-methyl-N-[4-oxo-4-(2-pyrrolidin-1-ylanilino)butyl]carbamate (PubChem CID 60595272) has the molecular formula C20H31N3O3 and a molecular weight of 361.49 g/mol. Its IUPAC name is tert-butyl N-methyl-N-[4-oxo-4-(2-pyrrolidin-1-ylanilino)butyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-methyl-N-[4-oxo-4-(2-pyrrolidin-1-ylanilino)butyl]carbamate
PubChem CID60595272
Molecular FormulaC20H31N3O3
Molecular Weight361.49 g/mol
Exact Mass361.24
IUPAC Nametert-butyl N-methyl-N-[4-oxo-4-(2-pyrrolidin-1-ylanilino)butyl]carbamate
SMILESCN(CCCC(=O)Nc1ccccc1N1CCCC1)C(=O)OC(C)(C)C
InChIInChI=1S/C20H31N3O3/c1-20(2,3)26-19(25)22(4)13-9-12-18(24)21-16-10-5-6-11-17(16)23-14-7-8-15-23/h5-6,10-11H,7-9,12-15H2,1-4H3,(H,21,24)
InChIKeyZWPZYIDHYSBAJY-UHFFFAOYSA-N
XLogP3.87
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.49
LogP ≤ 53.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

tert-butyl N-[4-oxo-4-(2-piperidin-1-ylanilino)butyl]carbamate
CID 60620853
5-hydroxy-N-(2-piperidin-1-ylphenyl)pentanamide
CID 79199095
tert-butyl N-[4-(2,5-dimethylanilino)-4-oxobutyl]-N-methylcarbamate
CID 60596780
5-chloro-N-(2-piperidin-1-ylphenyl)pentanamide
CID 43167914
5-amino-N-(2-piperidin-1-ylphenyl)hexanamide
CID 82850412
tert-butyl N-[4-(2-fluoro-4-methylanilino)-4-oxobutyl]-N-methylcarbamate
CID 47082010
3-amino-N-[2-(azepan-1-yl)phenyl]propanamide;dihydrochloride
CID 119842100
N-(2-piperidin-1-ylphenyl)propanamide
CID 960826
2-(tert-butylamino)-N-(2-piperidin-1-ylphenyl)acetamide
CID 78987037
2-methoxy-2-methyl-N-(2-pyrrolidin-1-ylphenyl)propanamide
CID 103028843
3,3-dimethyl-5-oxo-5-(2-piperidin-1-ylanilino)pentanoate
CID 6926722
5-amino-4-methyl-N-(2-piperidin-1-ylphenyl)pentanamide
CID 82014227

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-methyl-N-[4-oxo-4-(2-pyrrolidin-1-ylanilino)butyl]carbamate?
The IUPAC name of tert-butyl N-methyl-N-[4-oxo-4-(2-pyrrolidin-1-ylanilino)butyl]carbamate (CID 60595272) is tert-butyl N-methyl-N-[4-oxo-4-(2-pyrrolidin-1-ylanilino)butyl]carbamate.
What is the SMILES notation for tert-butyl N-methyl-N-[4-oxo-4-(2-pyrrolidin-1-ylanilino)butyl]carbamate?
The canonical SMILES for tert-butyl N-methyl-N-[4-oxo-4-(2-pyrrolidin-1-ylanilino)butyl]carbamate is CN(CCCC(=O)Nc1ccccc1N1CCCC1)C(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl N-methyl-N-[4-oxo-4-(2-pyrrolidin-1-ylanilino)butyl]carbamate?
The InChIKey is ZWPZYIDHYSBAJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H31N3O3/c1-20(2,3)26-19(25)22(4)13-9-12-18(24)21-16-10-5-6-11-17(16)23-14-7-8-15-23/h5-6,10-11H,7-9,12-15H2,1-4H3,(H,21,24).
What are the key properties of tert-butyl N-methyl-N-[4-oxo-4-(2-pyrrolidin-1-ylanilino)butyl]carbamate?
tert-butyl N-methyl-N-[4-oxo-4-(2-pyrrolidin-1-ylanilino)butyl]carbamate has a molecular weight of 361.49 g/mol, XLogP of 3.87, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-methyl-N-[4-oxo-4-(2-pyrrolidin-1-ylanilino)butyl]carbamate is sourced from PubChem (CID 60595272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).