N-(1-cyclobutyl-3-oxobutan-2-yl)formamide;N-cyclopropylformamide;1-(2,2-dimethyl-4-oxopentan-3-yl)-3-methylurea;5-methylnonane;propane

C35H70N4O5 — CID 143361565

About N-(1-cyclobutyl-3-oxobutan-2-yl)formamide;N-cyclopropylformamide;1-(2,2-dimethyl-4-oxopentan-3-yl)-3-methylurea;5-methylnonane;propane

N-(1-cyclobutyl-3-oxobutan-2-yl)formamide;N-cyclopropylformamide;1-(2,2-dimethyl-4-oxopentan-3-yl)-3-methylurea;5-methylnonane;propane (PubChem CID 143361565) has the molecular formula C35H70N4O5 and a molecular weight of 626.97 g/mol. Its IUPAC name is N-(1-cyclobutyl-3-oxobutan-2-yl)formamide;N-cyclopropylformamide;1-(2,2-dimethyl-4-oxopentan-3-yl)-3-methylurea;5-methylnonane;propane.

Molecular Properties

• Compound Name: N-(1-cyclobutyl-3-oxobutan-2-yl)formamide;N-cyclopropylformamide;1-(2,2-dimethyl-4-oxopentan-3-yl)-3-methylurea;5-methylnonane;propane
• PubChem CID: 143361565
• Molecular Formula: C35H70N4O5
• Molecular Weight: 626.97 g/mol
• Exact Mass: 626.53
• IUPAC Name: N-(1-cyclobutyl-3-oxobutan-2-yl)formamide;N-cyclopropylformamide;1-(2,2-dimethyl-4-oxopentan-3-yl)-3-methylurea;5-methylnonane;propane
• SMILES: CC(=O)C(CC1CCC1)NC=O.CCC.CCCCC(C)CCCC.CNC(=O)NC(C(C)=O)C(C)(C)C.O=CNC1CC1
• InChI: InChI=1S/C10H22.C9H18N2O2.C9H15NO2.C4H7NO.C3H8/c1-4-6-8-10(3)9-7-5-2;1-6(12)7(9(2,3)4)11-8(13)10-5;1-7(12)9(10-6-11)5-8-3-2-4-8;6-3-5-4-1-2-4;1-3-2/h10H,4-9H2,1-3H3;7H,1-5H3,(H2,10,11,13);6,8-9H,2-5H2,1H3,(H,10,11);3-4H,1-2H2,(H,5,6);3H2,1-2H3
• InChIKey: WOTAPGVSULGICB-UHFFFAOYSA-N
• XLogP: 7.11
• TPSA: 133.47 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 5
• Rotatable Bonds: 15
• Heavy Atoms: 44
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	626.97
LogP ≤ 5	7.11
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N-(1-cyclobutyl-3-oxobutan-2-yl)formamide;N-cyclopropylformamide;1-(2,2-dimethyl-4-oxopentan-3-yl)-3-methylurea;5-methylnonane;propane?

The IUPAC name of N-(1-cyclobutyl-3-oxobutan-2-yl)formamide;N-cyclopropylformamide;1-(2,2-dimethyl-4-oxopentan-3-yl)-3-methylurea;5-methylnonane;propane (CID 143361565) is N-(1-cyclobutyl-3-oxobutan-2-yl)formamide;N-cyclopropylformamide;1-(2,2-dimethyl-4-oxopentan-3-yl)-3-methylurea;5-methylnonane;propane.

What is the SMILES notation for N-(1-cyclobutyl-3-oxobutan-2-yl)formamide;N-cyclopropylformamide;1-(2,2-dimethyl-4-oxopentan-3-yl)-3-methylurea;5-methylnonane;propane?

The canonical SMILES for N-(1-cyclobutyl-3-oxobutan-2-yl)formamide;N-cyclopropylformamide;1-(2,2-dimethyl-4-oxopentan-3-yl)-3-methylurea;5-methylnonane;propane is CC(=O)C(CC1CCC1)NC=O.CCC.CCCCC(C)CCCC.CNC(=O)NC(C(C)=O)C(C)(C)C.O=CNC1CC1.

What is the InChIKey of N-(1-cyclobutyl-3-oxobutan-2-yl)formamide;N-cyclopropylformamide;1-(2,2-dimethyl-4-oxopentan-3-yl)-3-methylurea;5-methylnonane;propane?

The InChIKey is WOTAPGVSULGICB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22.C9H18N2O2.C9H15NO2.C4H7NO.C3H8/c1-4-6-8-10(3)9-7-5-2;1-6(12)7(9(2,3)4)11-8(13)10-5;1-7(12)9(10-6-11)5-8-3-2-4-8;6-3-5-4-1-2-4;1-3-2/h10H,4-9H2,1-3H3;7H,1-5H3,(H2,10,11,13);6,8-9H,2-5H2,1H3,(H,10,11);3-4H,1-2H2,(H,5,6);3H2,1-2H3.

What are the key properties of N-(1-cyclobutyl-3-oxobutan-2-yl)formamide;N-cyclopropylformamide;1-(2,2-dimethyl-4-oxopentan-3-yl)-3-methylurea;5-methylnonane;propane?

N-(1-cyclobutyl-3-oxobutan-2-yl)formamide;N-cyclopropylformamide;1-(2,2-dimethyl-4-oxopentan-3-yl)-3-methylurea;5-methylnonane;propane has a molecular weight of 626.97 g/mol, XLogP of 7.11, 15 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-(1-cyclobutyl-3-oxobutan-2-yl)formamide;N-cyclopropylformamide;1-(2,2-dimethyl-4-oxopentan-3-yl)-3-methylurea;5-methylnonane;propane is sourced from PubChem (CID 143361565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).