N-[4-(2-methylbutan-2-ylamino)-4-oxobutan-2-yl]hexanamide;2-methylpropanoic acid;pentane

C24H50N2O4 — CID 143028682

IUPACN-[4-(2-methylbutan-2-ylamino)-4-oxobutan-2-yl]hexanamide;2-methylpropanoic acid;pentane
SMILESCC(C)C(=O)O.CCCCC.CCCCCC(=O)NC(C)CC(=O)NC(C)(C)CC
InChIInChI=1S/C15H30N2O2.C5H12.C4H8O2/c1-6-8-9-10-13(18)16-12(3)11-14(19)17-15(4,5)7-2;1-3-5-4-2;1-3(2)4(5)6/h12H,6-11H2,1-5H3,(H,16,18)(H,17,19);3-5H2,1-2H3;3H,1-2H3,(H,5,6)
InChIKeyWAVMWCBYNLPFOV-UHFFFAOYSA-N
MW430.67 g/mol
LogP5.69
Rot. Bonds12

About N-[4-(2-methylbutan-2-ylamino)-4-oxobutan-2-yl]hexanamide;2-methylpropanoic acid;pentane

N-[4-(2-methylbutan-2-ylamino)-4-oxobutan-2-yl]hexanamide;2-methylpropanoic acid;pentane (PubChem CID 143028682) has the molecular formula C24H50N2O4 and a molecular weight of 430.67 g/mol. Its IUPAC name is N-[4-(2-methylbutan-2-ylamino)-4-oxobutan-2-yl]hexanamide;2-methylpropanoic acid;pentane.

Molecular Properties

Compound NameN-[4-(2-methylbutan-2-ylamino)-4-oxobutan-2-yl]hexanamide;2-methylpropanoic acid;pentane
PubChem CID143028682
Molecular FormulaC24H50N2O4
Molecular Weight430.67 g/mol
Exact Mass430.38
IUPAC NameN-[4-(2-methylbutan-2-ylamino)-4-oxobutan-2-yl]hexanamide;2-methylpropanoic acid;pentane
SMILESCC(C)C(=O)O.CCCCC.CCCCCC(=O)NC(C)CC(=O)NC(C)(C)CC
InChIInChI=1S/C15H30N2O2.C5H12.C4H8O2/c1-6-8-9-10-13(18)16-12(3)11-14(19)17-15(4,5)7-2;1-3-5-4-2;1-3(2)4(5)6/h12H,6-11H2,1-5H3,(H,16,18)(H,17,19);3-5H2,1-2H3;3H,1-2H3,(H,5,6)
InChIKeyWAVMWCBYNLPFOV-UHFFFAOYSA-N
XLogP5.69
TPSA95.50 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds12
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500430.67
LogP ≤ 55.69
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[4-(2-methylbutan-2-ylamino)-4-oxobutan-2-yl]hexanamide;2-methylpropanoic acid;pentane?
The IUPAC name of N-[4-(2-methylbutan-2-ylamino)-4-oxobutan-2-yl]hexanamide;2-methylpropanoic acid;pentane (CID 143028682) is N-[4-(2-methylbutan-2-ylamino)-4-oxobutan-2-yl]hexanamide;2-methylpropanoic acid;pentane.
What is the SMILES notation for N-[4-(2-methylbutan-2-ylamino)-4-oxobutan-2-yl]hexanamide;2-methylpropanoic acid;pentane?
The canonical SMILES for N-[4-(2-methylbutan-2-ylamino)-4-oxobutan-2-yl]hexanamide;2-methylpropanoic acid;pentane is CC(C)C(=O)O.CCCCC.CCCCCC(=O)NC(C)CC(=O)NC(C)(C)CC.
What is the InChIKey of N-[4-(2-methylbutan-2-ylamino)-4-oxobutan-2-yl]hexanamide;2-methylpropanoic acid;pentane?
The InChIKey is WAVMWCBYNLPFOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30N2O2.C5H12.C4H8O2/c1-6-8-9-10-13(18)16-12(3)11-14(19)17-15(4,5)7-2;1-3-5-4-2;1-3(2)4(5)6/h12H,6-11H2,1-5H3,(H,16,18)(H,17,19);3-5H2,1-2H3;3H,1-2H3,(H,5,6).
What are the key properties of N-[4-(2-methylbutan-2-ylamino)-4-oxobutan-2-yl]hexanamide;2-methylpropanoic acid;pentane?
N-[4-(2-methylbutan-2-ylamino)-4-oxobutan-2-yl]hexanamide;2-methylpropanoic acid;pentane has a molecular weight of 430.67 g/mol, XLogP of 5.69, 12 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(2-methylbutan-2-ylamino)-4-oxobutan-2-yl]hexanamide;2-methylpropanoic acid;pentane is sourced from PubChem (CID 143028682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).