1-[1-(2,4-dimethylpyrrolidin-1-yl)-3,3-dimethyl-1-oxobutan-2-yl]-3-[3-methyl-1-oxo-1-(1H-pyrrol-2-yl)butan-2-yl]urea;3-formamido-2-oxobutanamide;2-methylbutane

C32H56N6O6 — CID 143352937

IUPAC1-[1-(2,4-dimethylpyrrolidin-1-yl)-3,3-dimethyl-1-oxobutan-2-yl]-3-[3-methyl-1-oxo-1-(1H-pyrrol-2-yl)butan-2-yl]urea;3-formamido-2-oxobutanamide;2-methylbutane
SMILESCC(NC=O)C(=O)C(N)=O.CC1CC(C)N(C(=O)C(NC(=O)NC(C(=O)c2ccc[nH]2)C(C)C)C(C)(C)C)C1.CCC(C)C
InChIInChI=1S/C22H36N4O3.C5H8N2O3.C5H12/c1-13(2)17(18(27)16-9-8-10-23-16)24-21(29)25-19(22(5,6)7)20(28)26-12-14(3)11-15(26)4;1-3(7-2-8)4(9)5(6)10;1-4-5(2)3/h8-10,13-15,17,19,23H,11-12H2,1-7H3,(H2,24,25,29);2-3H,1H3,(H2,6,10)(H,7,8);5H,4H2,1-3H3
InChIKeySGJMOMAHRXLJHS-UHFFFAOYSA-N
MW620.84 g/mol
LogP3.42
Rot. Bonds11

About 1-[1-(2,4-dimethylpyrrolidin-1-yl)-3,3-dimethyl-1-oxobutan-2-yl]-3-[3-methyl-1-oxo-1-(1H-pyrrol-2-yl)butan-2-yl]urea;3-formamido-2-oxobutanamide;2-methylbutane

1-[1-(2,4-dimethylpyrrolidin-1-yl)-3,3-dimethyl-1-oxobutan-2-yl]-3-[3-methyl-1-oxo-1-(1H-pyrrol-2-yl)butan-2-yl]urea;3-formamido-2-oxobutanamide;2-methylbutane (PubChem CID 143352937) has the molecular formula C32H56N6O6 and a molecular weight of 620.84 g/mol. Its IUPAC name is 1-[1-(2,4-dimethylpyrrolidin-1-yl)-3,3-dimethyl-1-oxobutan-2-yl]-3-[3-methyl-1-oxo-1-(1H-pyrrol-2-yl)butan-2-yl]urea;3-formamido-2-oxobutanamide;2-methylbutane.

Molecular Properties

Compound Name1-[1-(2,4-dimethylpyrrolidin-1-yl)-3,3-dimethyl-1-oxobutan-2-yl]-3-[3-methyl-1-oxo-1-(1H-pyrrol-2-yl)butan-2-yl]urea;3-formamido-2-oxobutanamide;2-methylbutane
PubChem CID143352937
Molecular FormulaC32H56N6O6
Molecular Weight620.84 g/mol
Exact Mass620.43
IUPAC Name1-[1-(2,4-dimethylpyrrolidin-1-yl)-3,3-dimethyl-1-oxobutan-2-yl]-3-[3-methyl-1-oxo-1-(1H-pyrrol-2-yl)butan-2-yl]urea;3-formamido-2-oxobutanamide;2-methylbutane
SMILESCC(NC=O)C(=O)C(N)=O.CC1CC(C)N(C(=O)C(NC(=O)NC(C(=O)c2ccc[nH]2)C(C)C)C(C)(C)C)C1.CCC(C)C
InChIInChI=1S/C22H36N4O3.C5H8N2O3.C5H12/c1-13(2)17(18(27)16-9-8-10-23-16)24-21(29)25-19(22(5,6)7)20(28)26-12-14(3)11-15(26)4;1-3(7-2-8)4(9)5(6)10;1-4-5(2)3/h8-10,13-15,17,19,23H,11-12H2,1-7H3,(H2,24,25,29);2-3H,1H3,(H2,6,10)(H,7,8);5H,4H2,1-3H3
InChIKeySGJMOMAHRXLJHS-UHFFFAOYSA-N
XLogP3.42
TPSA183.56 Ų
H-Bond Donors5
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms44
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500620.84
LogP ≤ 53.42
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 1-[1-(2,4-dimethylpyrrolidin-1-yl)-3,3-dimethyl-1-oxobutan-2-yl]-3-[3-methyl-1-oxo-1-(1H-pyrrol-2-yl)butan-2-yl]urea;3-formamido-2-oxobutanamide;2-methylbutane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(4-amino-3,4-dioxobutan-2-yl)-1-[3,3-dimethyl-2-[(3-methyl-1-oxo-1-phenylbutan-2-yl)carbamoylamino]butanoyl]pyrrolidine-2-carboxamide;methylcyclobutane;2-methylpropane
CID 143357012
1-[1-(2-formylpyrrolidin-1-yl)-3,3-dimethyl-1-oxobutan-2-yl]-3-(3-methyl-1-oxo-1-phenylbutan-2-yl)urea;methylcyclobutane;2-oxo-3-(sulfanylamino)butanamide
CID 143362846
(2S)-N-(4-amino-3,4-dioxobutan-2-yl)-1-[3,3-dimethyl-2-[(3-methyl-1-oxo-1-pyridin-2-ylbutan-2-yl)carbamoylamino]butanoyl]pyrrolidine-2-carboxamide;methylcyclobutane
CID 143363058
benzyl 2-[[1-(2,4-dimethylpyrrolidin-1-yl)-3,3-dimethyl-1-oxobutan-2-yl]carbamoylamino]acetate
CID 143102515
(2S,4R)-N-(4-amino-1-cyclopropyl-3,4-dioxobutan-2-yl)-1-[3,3-dimethyl-2-[[1-(4-methylphenyl)-1-oxobutan-2-yl]carbamoylamino]butanoyl]-4-methylpyrrolidine-2-carboxamide
CID 143361863
1-[1-(2-formylpyrrolidin-1-yl)-3,3-dimethyl-1-oxobutan-2-yl]-3-(3-methyl-1-oxo-1-phenylbutan-2-yl)urea
CID 143352818
2,3-dihydro-1H-inden-2-yl 2-[[1-[(2R)-4-(dichloromethyl)-2-methylpyrrolidin-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]carbamoylamino]acetate;3-formamido-2-oxopentanamide;methylcyclopropane;propane
CID 143361385
N-[(2S)-1-[(4R)-2,4-dimethylpyrrolidin-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]-2-methylpropanamide;methyl formate;propane
CID 165393780
(4-fluorophenyl)methyl 2-[[1-[(2S,4R)-2-[[1,2-dioxo-1-(prop-2-enylamino)hexan-3-yl]carbamoyl]-4-methylpyrrolidin-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]carbamoylamino]-3-methylbutanoate
CID 143353183
4-cyclobutyl-3-formamido-2-oxobutanamide;1-(1-cyclopropyl-3-methyl-1-oxobutan-2-yl)-3-[3,3-dimethyl-1-(2-methylpyrrolidin-1-yl)-1-oxobutan-2-yl]urea;propane
CID 143105489
(2S)-1-(2-acetamido-3,3-dimethylbutanoyl)-N-(4-amino-3,4-dioxobutan-2-yl)-4-methylpyrrolidine-2-carboxamide;ethane;methylcyclobutane
CID 143354205
N-(4-amino-1-cyclopropyl-3,4-dioxobutan-2-yl)-1-[2-[[1-(6-methoxy-2-pyridinyl)-3-methyl-1-oxobutan-2-yl]carbamoylamino]-3,3-dimethylbutanoyl]pyrrolidine-2-carboxamide
CID 143102533

Frequently Asked Questions

What is the IUPAC name of 1-[1-(2,4-dimethylpyrrolidin-1-yl)-3,3-dimethyl-1-oxobutan-2-yl]-3-[3-methyl-1-oxo-1-(1H-pyrrol-2-yl)butan-2-yl]urea;3-formamido-2-oxobutanamide;2-methylbutane?
The IUPAC name of 1-[1-(2,4-dimethylpyrrolidin-1-yl)-3,3-dimethyl-1-oxobutan-2-yl]-3-[3-methyl-1-oxo-1-(1H-pyrrol-2-yl)butan-2-yl]urea;3-formamido-2-oxobutanamide;2-methylbutane (CID 143352937) is 1-[1-(2,4-dimethylpyrrolidin-1-yl)-3,3-dimethyl-1-oxobutan-2-yl]-3-[3-methyl-1-oxo-1-(1H-pyrrol-2-yl)butan-2-yl]urea;3-formamido-2-oxobutanamide;2-methylbutane.
What is the SMILES notation for 1-[1-(2,4-dimethylpyrrolidin-1-yl)-3,3-dimethyl-1-oxobutan-2-yl]-3-[3-methyl-1-oxo-1-(1H-pyrrol-2-yl)butan-2-yl]urea;3-formamido-2-oxobutanamide;2-methylbutane?
The canonical SMILES for 1-[1-(2,4-dimethylpyrrolidin-1-yl)-3,3-dimethyl-1-oxobutan-2-yl]-3-[3-methyl-1-oxo-1-(1H-pyrrol-2-yl)butan-2-yl]urea;3-formamido-2-oxobutanamide;2-methylbutane is CC(NC=O)C(=O)C(N)=O.CC1CC(C)N(C(=O)C(NC(=O)NC(C(=O)c2ccc[nH]2)C(C)C)C(C)(C)C)C1.CCC(C)C.
What is the InChIKey of 1-[1-(2,4-dimethylpyrrolidin-1-yl)-3,3-dimethyl-1-oxobutan-2-yl]-3-[3-methyl-1-oxo-1-(1H-pyrrol-2-yl)butan-2-yl]urea;3-formamido-2-oxobutanamide;2-methylbutane?
The InChIKey is SGJMOMAHRXLJHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H36N4O3.C5H8N2O3.C5H12/c1-13(2)17(18(27)16-9-8-10-23-16)24-21(29)25-19(22(5,6)7)20(28)26-12-14(3)11-15(26)4;1-3(7-2-8)4(9)5(6)10;1-4-5(2)3/h8-10,13-15,17,19,23H,11-12H2,1-7H3,(H2,24,25,29);2-3H,1H3,(H2,6,10)(H,7,8);5H,4H2,1-3H3.
What are the key properties of 1-[1-(2,4-dimethylpyrrolidin-1-yl)-3,3-dimethyl-1-oxobutan-2-yl]-3-[3-methyl-1-oxo-1-(1H-pyrrol-2-yl)butan-2-yl]urea;3-formamido-2-oxobutanamide;2-methylbutane?
1-[1-(2,4-dimethylpyrrolidin-1-yl)-3,3-dimethyl-1-oxobutan-2-yl]-3-[3-methyl-1-oxo-1-(1H-pyrrol-2-yl)butan-2-yl]urea;3-formamido-2-oxobutanamide;2-methylbutane has a molecular weight of 620.84 g/mol, XLogP of 3.42, 11 rotatable bonds, 5 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(2,4-dimethylpyrrolidin-1-yl)-3,3-dimethyl-1-oxobutan-2-yl]-3-[3-methyl-1-oxo-1-(1H-pyrrol-2-yl)butan-2-yl]urea;3-formamido-2-oxobutanamide;2-methylbutane is sourced from PubChem (CID 143352937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).