tert-butyl N-methyl-N-[1-[methyl-(1-methylpyrrolidin-3-yl)carbamoyl]pyrrolidin-3-yl]carbamate

C17H32N4O3 — CID 58689004

IUPACtert-butyl N-methyl-N-[1-[methyl-(1-methylpyrrolidin-3-yl)carbamoyl]pyrrolidin-3-yl]carbamate
SMILESCN1CCC(N(C)C(=O)N2CCC(N(C)C(=O)OC(C)(C)C)C2)C1
InChIInChI=1S/C17H32N4O3/c1-17(2,3)24-16(23)20(6)14-8-10-21(12-14)15(22)19(5)13-7-9-18(4)11-13/h13-14H,7-12H2,1-6H3
InChIKeyVENOTNMXOMYUAJ-UHFFFAOYSA-N
MW340.47 g/mol
LogP1.68
Rot. Bonds2

About tert-butyl N-methyl-N-[1-[methyl-(1-methylpyrrolidin-3-yl)carbamoyl]pyrrolidin-3-yl]carbamate

tert-butyl N-methyl-N-[1-[methyl-(1-methylpyrrolidin-3-yl)carbamoyl]pyrrolidin-3-yl]carbamate (PubChem CID 58689004) has the molecular formula C17H32N4O3 and a molecular weight of 340.47 g/mol. Its IUPAC name is tert-butyl N-methyl-N-[1-[methyl-(1-methylpyrrolidin-3-yl)carbamoyl]pyrrolidin-3-yl]carbamate.

Molecular Properties

Compound Nametert-butyl N-methyl-N-[1-[methyl-(1-methylpyrrolidin-3-yl)carbamoyl]pyrrolidin-3-yl]carbamate
PubChem CID58689004
Molecular FormulaC17H32N4O3
Molecular Weight340.47 g/mol
Exact Mass340.25
IUPAC Nametert-butyl N-methyl-N-[1-[methyl-(1-methylpyrrolidin-3-yl)carbamoyl]pyrrolidin-3-yl]carbamate
SMILESCN1CCC(N(C)C(=O)N2CCC(N(C)C(=O)OC(C)(C)C)C2)C1
InChIInChI=1S/C17H32N4O3/c1-17(2,3)24-16(23)20(6)14-8-10-21(12-14)15(22)19(5)13-7-9-18(4)11-13/h13-14H,7-12H2,1-6H3
InChIKeyVENOTNMXOMYUAJ-UHFFFAOYSA-N
XLogP1.68
TPSA56.33 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.47
LogP ≤ 51.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

tert-butyl N-methyl-N-[(3S)-1-[(3R)-3-[methyl-(2,2,2-trifluoroacetyl)amino]pyrrolidine-1-carbonyl]pyrrolidin-3-yl]carbamate
CID 58651109
tert-butyl (3R)-3-pyrrolidin-1-ylpyrrolidine-1-carboxylate
CID 68979695
tert-butyl N-methyl-N-[1-[3-[methyl-(2,2,2-trifluoroacetyl)amino]pyrrolidine-1-carbonyl]pyrrolidin-3-yl]carbamate
CID 21034343
Tert-butyl 2-oxo-3-(4-pyrrolidin-1-ylbut-2-ynyl)imidazolidine-1-carboxylate
CID 19753273
Tert-butyl 4-methyl-2-oxo-3-(4-pyrrolidin-1-ylbut-2-ynyl)imidazolidine-1-carboxylate
CID 19753290
Tert-butyl 5-methyl-2-oxo-3-(4-pyrrolidin-1-ylbut-2-ynyl)imidazolidine-1-carboxylate
CID 19753303
[(R)-1-((R)-Pyrrolidin-3-ylcarbamoyl)-pyrrolidin-3-yl]-carbamic acid tert-butyl ester
CID 58024990
Tert-butyl 3-methyl-4-(3-methyl-2-oxoimidazolidin-1-yl)pyrrolidine-1-carboxylate
CID 58356141
tert-butyl N-methyl-N-[(3S)-1-[methyl-[(3R)-pyrrolidin-3-yl]carbamoyl]pyrrolidin-3-yl]carbamate
CID 58688941
tert-butyl N-[(3S)-1-[methyl-[(3S)-pyrrolidin-3-yl]carbamoyl]pyrrolidin-3-yl]carbamate
CID 58689045
tert-butyl N-methyl-N-[(3S)-1-[methyl-[(3R)-1-(3-oxo-3-pyrrolidin-1-ylpropyl)pyrrolidin-3-yl]carbamoyl]pyrrolidin-3-yl]carbamate
CID 58689226
tert-butyl N-[(3S)-1-[[(3R)-1-(2-methoxyethyl)pyrrolidin-3-yl]-methylcarbamoyl]pyrrolidin-3-yl]-N-methylcarbamate
CID 58689230

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-methyl-N-[1-[methyl-(1-methylpyrrolidin-3-yl)carbamoyl]pyrrolidin-3-yl]carbamate?
The IUPAC name of tert-butyl N-methyl-N-[1-[methyl-(1-methylpyrrolidin-3-yl)carbamoyl]pyrrolidin-3-yl]carbamate (CID 58689004) is tert-butyl N-methyl-N-[1-[methyl-(1-methylpyrrolidin-3-yl)carbamoyl]pyrrolidin-3-yl]carbamate.
What is the SMILES notation for tert-butyl N-methyl-N-[1-[methyl-(1-methylpyrrolidin-3-yl)carbamoyl]pyrrolidin-3-yl]carbamate?
The canonical SMILES for tert-butyl N-methyl-N-[1-[methyl-(1-methylpyrrolidin-3-yl)carbamoyl]pyrrolidin-3-yl]carbamate is CN1CCC(N(C)C(=O)N2CCC(N(C)C(=O)OC(C)(C)C)C2)C1.
What is the InChIKey of tert-butyl N-methyl-N-[1-[methyl-(1-methylpyrrolidin-3-yl)carbamoyl]pyrrolidin-3-yl]carbamate?
The InChIKey is VENOTNMXOMYUAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H32N4O3/c1-17(2,3)24-16(23)20(6)14-8-10-21(12-14)15(22)19(5)13-7-9-18(4)11-13/h13-14H,7-12H2,1-6H3.
What are the key properties of tert-butyl N-methyl-N-[1-[methyl-(1-methylpyrrolidin-3-yl)carbamoyl]pyrrolidin-3-yl]carbamate?
tert-butyl N-methyl-N-[1-[methyl-(1-methylpyrrolidin-3-yl)carbamoyl]pyrrolidin-3-yl]carbamate has a molecular weight of 340.47 g/mol, XLogP of 1.68, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-methyl-N-[1-[methyl-(1-methylpyrrolidin-3-yl)carbamoyl]pyrrolidin-3-yl]carbamate is sourced from PubChem (CID 58689004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).