N-[1-cyclobutyl-4-(cyclopropylamino)-3,4-dioxobutan-2-yl]-1-methylpyrrolidine-2-carboxamide;1-(3,3-dimethyl-1-oxobutan-2-yl)-3-methylurea;propane

About N-[1-cyclobutyl-4-(cyclopropylamino)-3,4-dioxobutan-2-yl]-1-methylpyrrolidine-2-carboxamide;1-(3,3-dimethyl-1-oxobutan-2-yl)-3-methylurea;propane

N-[1-cyclobutyl-4-(cyclopropylamino)-3,4-dioxobutan-2-yl]-1-methylpyrrolidine-2-carboxamide;1-(3,3-dimethyl-1-oxobutan-2-yl)-3-methylurea;propane (PubChem CID 143314585) has the molecular formula C28H51N5O5 and a molecular weight of 537.75 g/mol. Its IUPAC name is N-[1-cyclobutyl-4-(cyclopropylamino)-3,4-dioxobutan-2-yl]-1-methylpyrrolidine-2-carboxamide;1-(3,3-dimethyl-1-oxobutan-2-yl)-3-methylurea;propane.

Molecular Properties

Compound Name	N-[1-cyclobutyl-4-(cyclopropylamino)-3,4-dioxobutan-2-yl]-1-methylpyrrolidine-2-carboxamide;1-(3,3-dimethyl-1-oxobutan-2-yl)-3-methylurea;propane
PubChem CID	143314585
Molecular Formula	C28H51N5O5
Molecular Weight	537.75 g/mol
Exact Mass	537.39
IUPAC Name	N-[1-cyclobutyl-4-(cyclopropylamino)-3,4-dioxobutan-2-yl]-1-methylpyrrolidine-2-carboxamide;1-(3,3-dimethyl-1-oxobutan-2-yl)-3-methylurea;propane
SMILES	CCC.CN1CCCC1C(=O)NC(CC1CCC1)C(=O)C(=O)NC1CC1.CNC(=O)NC(C=O)C(C)(C)C
InChI	InChI=1S/C17H27N3O3.C8H16N2O2.C3H8/c1-20-9-3-6-14(20)16(22)19-13(10-11-4-2-5-11)15(21)17(23)18-12-7-8-12;1-8(2,3)6(5-11)10-7(12)9-4;1-3-2/h11-14H,2-10H2,1H3,(H,18,23)(H,19,22);5-6H,1-4H3,(H2,9,10,12);3H2,1-2H3
InChIKey	ZNYOAAWVTUGFJJ-UHFFFAOYSA-N
XLogP	2.55
TPSA	136.71 Å²
H-Bond Donors	4
H-Bond Acceptors	6
Rotatable Bonds	9
Heavy Atoms	38
Complexity	—

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	537.75
LogP ≤ 5	2.55
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

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

Related Compounds

Frequently Asked Questions

What is the IUPAC name of N-[1-cyclobutyl-4-(cyclopropylamino)-3,4-dioxobutan-2-yl]-1-methylpyrrolidine-2-carboxamide;1-(3,3-dimethyl-1-oxobutan-2-yl)-3-methylurea;propane?

The IUPAC name of N-[1-cyclobutyl-4-(cyclopropylamino)-3,4-dioxobutan-2-yl]-1-methylpyrrolidine-2-carboxamide;1-(3,3-dimethyl-1-oxobutan-2-yl)-3-methylurea;propane (CID 143314585) is N-[1-cyclobutyl-4-(cyclopropylamino)-3,4-dioxobutan-2-yl]-1-methylpyrrolidine-2-carboxamide;1-(3,3-dimethyl-1-oxobutan-2-yl)-3-methylurea;propane.

What is the SMILES notation for N-[1-cyclobutyl-4-(cyclopropylamino)-3,4-dioxobutan-2-yl]-1-methylpyrrolidine-2-carboxamide;1-(3,3-dimethyl-1-oxobutan-2-yl)-3-methylurea;propane?

The canonical SMILES for N-[1-cyclobutyl-4-(cyclopropylamino)-3,4-dioxobutan-2-yl]-1-methylpyrrolidine-2-carboxamide;1-(3,3-dimethyl-1-oxobutan-2-yl)-3-methylurea;propane is CCC.CN1CCCC1C(=O)NC(CC1CCC1)C(=O)C(=O)NC1CC1.CNC(=O)NC(C=O)C(C)(C)C.

What is the InChIKey of N-[1-cyclobutyl-4-(cyclopropylamino)-3,4-dioxobutan-2-yl]-1-methylpyrrolidine-2-carboxamide;1-(3,3-dimethyl-1-oxobutan-2-yl)-3-methylurea;propane?

The InChIKey is ZNYOAAWVTUGFJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N3O3.C8H16N2O2.C3H8/c1-20-9-3-6-14(20)16(22)19-13(10-11-4-2-5-11)15(21)17(23)18-12-7-8-12;1-8(2,3)6(5-11)10-7(12)9-4;1-3-2/h11-14H,2-10H2,1H3,(H,18,23)(H,19,22);5-6H,1-4H3,(H2,9,10,12);3H2,1-2H3.

What are the key properties of N-[1-cyclobutyl-4-(cyclopropylamino)-3,4-dioxobutan-2-yl]-1-methylpyrrolidine-2-carboxamide;1-(3,3-dimethyl-1-oxobutan-2-yl)-3-methylurea;propane?

N-[1-cyclobutyl-4-(cyclopropylamino)-3,4-dioxobutan-2-yl]-1-methylpyrrolidine-2-carboxamide;1-(3,3-dimethyl-1-oxobutan-2-yl)-3-methylurea;propane has a molecular weight of 537.75 g/mol, XLogP of 2.55, 9 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-[1-cyclobutyl-4-(cyclopropylamino)-3,4-dioxobutan-2-yl]-1-methylpyrrolidine-2-carboxamide;1-(3,3-dimethyl-1-oxobutan-2-yl)-3-methylurea;propane is sourced from PubChem (CID 143314585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).