N-(4-amino-1-cyclobutyl-3,4-dioxobutan-2-yl)-1-[2-(tert-butylcarbamoylamino)-3,3-dimethylbutanoyl]pyrrolidine-2-carboxamide

C24H41N5O5 — CID 23647814

IUPACN-(4-amino-1-cyclobutyl-3,4-dioxobutan-2-yl)-1-[2-(tert-butylcarbamoylamino)-3,3-dimethylbutanoyl]pyrrolidine-2-carboxamide
SMILESCC(C)(C)NC(=O)NC(C(=O)N1CCCC1C(=O)NC(CC1CCC1)C(=O)C(N)=O)C(C)(C)C
InChIInChI=1S/C24H41N5O5/c1-23(2,3)18(27-22(34)28-24(4,5)6)21(33)29-12-8-11-16(29)20(32)26-15(17(30)19(25)31)13-14-9-7-10-14/h14-16,18H,7-13H2,1-6H3,(H2,25,31)(H,26,32)(H2,27,28,34)
InChIKeyDLOABBOLLLVJJX-UHFFFAOYSA-N
MW479.62 g/mol
LogP1.22
Rot. Bonds8

About N-(4-amino-1-cyclobutyl-3,4-dioxobutan-2-yl)-1-[2-(tert-butylcarbamoylamino)-3,3-dimethylbutanoyl]pyrrolidine-2-carboxamide

N-(4-amino-1-cyclobutyl-3,4-dioxobutan-2-yl)-1-[2-(tert-butylcarbamoylamino)-3,3-dimethylbutanoyl]pyrrolidine-2-carboxamide (PubChem CID 23647814) has the molecular formula C24H41N5O5 and a molecular weight of 479.62 g/mol. Its IUPAC name is N-(4-amino-1-cyclobutyl-3,4-dioxobutan-2-yl)-1-[2-(tert-butylcarbamoylamino)-3,3-dimethylbutanoyl]pyrrolidine-2-carboxamide.

Molecular Properties

Compound NameN-(4-amino-1-cyclobutyl-3,4-dioxobutan-2-yl)-1-[2-(tert-butylcarbamoylamino)-3,3-dimethylbutanoyl]pyrrolidine-2-carboxamide
PubChem CID23647814
Molecular FormulaC24H41N5O5
Molecular Weight479.62 g/mol
Exact Mass479.31
IUPAC NameN-(4-amino-1-cyclobutyl-3,4-dioxobutan-2-yl)-1-[2-(tert-butylcarbamoylamino)-3,3-dimethylbutanoyl]pyrrolidine-2-carboxamide
SMILESCC(C)(C)NC(=O)NC(C(=O)N1CCCC1C(=O)NC(CC1CCC1)C(=O)C(N)=O)C(C)(C)C
InChIInChI=1S/C24H41N5O5/c1-23(2,3)18(27-22(34)28-24(4,5)6)21(33)29-12-8-11-16(29)20(32)26-15(17(30)19(25)31)13-14-9-7-10-14/h14-16,18H,7-13H2,1-6H3,(H2,25,31)(H,26,32)(H2,27,28,34)
InChIKeyDLOABBOLLLVJJX-UHFFFAOYSA-N
XLogP1.22
TPSA150.70 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500479.62
LogP ≤ 51.22
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(4-amino-1-cyclobutyl-3,4-dioxobutan-2-yl)-1-[2-(tert-butylcarbamoylamino)-3,3-dimethylbutanoyl]pyrrolidine-2-carboxamide?
The IUPAC name of N-(4-amino-1-cyclobutyl-3,4-dioxobutan-2-yl)-1-[2-(tert-butylcarbamoylamino)-3,3-dimethylbutanoyl]pyrrolidine-2-carboxamide (CID 23647814) is N-(4-amino-1-cyclobutyl-3,4-dioxobutan-2-yl)-1-[2-(tert-butylcarbamoylamino)-3,3-dimethylbutanoyl]pyrrolidine-2-carboxamide.
What is the SMILES notation for N-(4-amino-1-cyclobutyl-3,4-dioxobutan-2-yl)-1-[2-(tert-butylcarbamoylamino)-3,3-dimethylbutanoyl]pyrrolidine-2-carboxamide?
The canonical SMILES for N-(4-amino-1-cyclobutyl-3,4-dioxobutan-2-yl)-1-[2-(tert-butylcarbamoylamino)-3,3-dimethylbutanoyl]pyrrolidine-2-carboxamide is CC(C)(C)NC(=O)NC(C(=O)N1CCCC1C(=O)NC(CC1CCC1)C(=O)C(N)=O)C(C)(C)C.
What is the InChIKey of N-(4-amino-1-cyclobutyl-3,4-dioxobutan-2-yl)-1-[2-(tert-butylcarbamoylamino)-3,3-dimethylbutanoyl]pyrrolidine-2-carboxamide?
The InChIKey is DLOABBOLLLVJJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H41N5O5/c1-23(2,3)18(27-22(34)28-24(4,5)6)21(33)29-12-8-11-16(29)20(32)26-15(17(30)19(25)31)13-14-9-7-10-14/h14-16,18H,7-13H2,1-6H3,(H2,25,31)(H,26,32)(H2,27,28,34).
What are the key properties of N-(4-amino-1-cyclobutyl-3,4-dioxobutan-2-yl)-1-[2-(tert-butylcarbamoylamino)-3,3-dimethylbutanoyl]pyrrolidine-2-carboxamide?
N-(4-amino-1-cyclobutyl-3,4-dioxobutan-2-yl)-1-[2-(tert-butylcarbamoylamino)-3,3-dimethylbutanoyl]pyrrolidine-2-carboxamide has a molecular weight of 479.62 g/mol, XLogP of 1.22, 8 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-amino-1-cyclobutyl-3,4-dioxobutan-2-yl)-1-[2-(tert-butylcarbamoylamino)-3,3-dimethylbutanoyl]pyrrolidine-2-carboxamide is sourced from PubChem (CID 23647814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).