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

C32H57N5O6 — CID 143105489

IUPAC4-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
SMILESCC(C)C(NC(=O)NC(C(=O)N1CCCC1C)C(C)(C)C)C(=O)C1CC1.CCC.NC(=O)C(=O)C(CC1CCC1)NC=O
InChIInChI=1S/C20H35N3O3.C9H14N2O3.C3H8/c1-12(2)15(16(24)14-9-10-14)21-19(26)22-17(20(4,5)6)18(25)23-11-7-8-13(23)3;10-9(14)8(13)7(11-5-12)4-6-2-1-3-6;1-3-2/h12-15,17H,7-11H2,1-6H3,(H2,21,22,26);5-7H,1-4H2,(H2,10,14)(H,11,12);3H2,1-2H3
InChIKeyAQNLQFHNFGXMBU-UHFFFAOYSA-N
MW607.84 g/mol
LogP3.48
Rot. Bonds12

About 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

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 (PubChem CID 143105489) has the molecular formula C32H57N5O6 and a molecular weight of 607.84 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name4-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
PubChem CID143105489
Molecular FormulaC32H57N5O6
Molecular Weight607.84 g/mol
Exact Mass607.43
IUPAC Name4-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
SMILESCC(C)C(NC(=O)NC(C(=O)N1CCCC1C)C(C)(C)C)C(=O)C1CC1.CCC.NC(=O)C(=O)C(CC1CCC1)NC=O
InChIInChI=1S/C20H35N3O3.C9H14N2O3.C3H8/c1-12(2)15(16(24)14-9-10-14)21-19(26)22-17(20(4,5)6)18(25)23-11-7-8-13(23)3;10-9(14)8(13)7(11-5-12)4-6-2-1-3-6;1-3-2/h12-15,17H,7-11H2,1-6H3,(H2,21,22,26);5-7H,1-4H2,(H2,10,14)(H,11,12);3H2,1-2H3
InChIKeyAQNLQFHNFGXMBU-UHFFFAOYSA-N
XLogP3.48
TPSA167.77 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds12
Heavy Atoms43
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500607.84
LogP ≤ 53.48
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

N-(4-amino-1-cyclobutyl-3,4-dioxobutan-2-yl)-2-[2-[(1-cyclopropyl-3-methyl-1-oxobutan-2-yl)carbamoylamino]-3,3-dimethylbutanoyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-3-carboxamide
CID 20846032
(2S)-N-(4-amino-1-cyclobutyl-3,4-dioxobutan-2-yl)-1-[(2S)-3,3-dimethyl-2-(propan-2-ylcarbamoylamino)butanoyl]pyrrolidine-2-carboxamide
CID 58262796
(2S,3R)-N-(4-amino-1-cyclopropyl-3,4-dioxobutan-2-yl)-1-[(2S)-2-[[(2S)-1-cyclopropyl-3-methyl-1-oxobutan-2-yl]carbamoylamino]-3,3-dimethylbutanoyl]-3-propan-2-ylpyrrolidine-2-carboxamide
CID 143102635
(2S)-N-(4-amino-1-cyclobutyl-3,4-dioxobutan-2-yl)-1-[2-[[1-[ethyl(propyl)amino]-3-methyl-1-oxobutan-2-yl]carbamoylamino]-3,3-dimethylbutanoyl]pyrrolidine-2-carboxamide
CID 143362306
ethane;2-methylpropyl 2-[[1-[2-[(4-amino-1-cyclobutyl-3,4-dioxobutan-2-yl)carbamoyl]pyrrolidin-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]carbamoylamino]-3,3-dimethylbutanoate;propane
CID 143354877
(2S,3S)-N-(4-amino-1-cyclopropyl-3,4-dioxobutan-2-yl)-1-[(2S)-2-[[(2S)-1-cyclopropyl-3-methyl-1-oxobutan-2-yl]carbamoylamino]-3,3-dimethylbutanoyl]-3-(2-methylpropyl)pyrrolidine-2-carboxamide
CID 143360221
1-(1-cyclohexyl-3-methyl-1-oxobutan-2-yl)-3-[1-(2-formylpyrrolidin-1-yl)-3,3-dimethyl-1-oxobutan-2-yl]urea;5-methyl-2-oxo-3-(sulfanylamino)octanamide
CID 143102423
(2S,3R)-N-(4-amino-1-cyclobutyl-3,4-dioxobutan-2-yl)-1-[(2S)-3,3-dimethyl-2-[[(2S)-3-methyl-1-oxo-1-pyrrolidin-1-ylbutan-2-yl]carbamoylamino]butanoyl]-3-propan-2-ylpyrrolidine-2-carboxamide
CID 143355062
N-(4-amino-1-cyclopropyl-3,4-dioxobutan-2-yl)-1-[3,3-dimethyl-2-[(3-methyl-1-morpholin-4-yl-1-oxobutan-2-yl)carbamoylamino]butanoyl]pyrrolidine-2-carboxamide
CID 143102322
N-(4-amino-1-cyclobutyl-3,4-dioxobutan-2-yl)-1-[3,3-dimethyl-2-(methylamino)butanoyl]pyrrolidine-2-carboxamide
CID 143314594
(2S)-N-(4-amino-1-cyclobutyl-3,4-dioxobutan-2-yl)-1-[3,3-dimethyl-2-(methylamino)butanoyl]pyrrolidine-2-carboxamide
CID 143354355
(2S)-N-(4-amino-1-cyclopropyl-3,4-dioxobutan-2-yl)-1-[(2S)-3,3-dimethyl-2-[[(3S)-4-methyl-2-phenylpent-1-en-3-yl]carbamoylamino]butanoyl]pyrrolidine-2-carboxamide
CID 70320129

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CC(C)C(NC(=O)NC(C(=O)N1CCCC1C)C(C)(C)C)C(=O)C1CC1.CCC.NC(=O)C(=O)C(CC1CCC1)NC=O.
What is the InChIKey of 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?
The InChIKey is AQNLQFHNFGXMBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H35N3O3.C9H14N2O3.C3H8/c1-12(2)15(16(24)14-9-10-14)21-19(26)22-17(20(4,5)6)18(25)23-11-7-8-13(23)3;10-9(14)8(13)7(11-5-12)4-6-2-1-3-6;1-3-2/h12-15,17H,7-11H2,1-6H3,(H2,21,22,26);5-7H,1-4H2,(H2,10,14)(H,11,12);3H2,1-2H3.
What are the key properties of 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?
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 has a molecular weight of 607.84 g/mol, XLogP of 3.48, 12 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 143105489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).