ethane;2,2,4-trimethyl-N-[4-methyl-5-(methylamino)pentan-2-yl]-5-oxopentanamide

C21H48N2O2 — CID 145023142

IUPACethane;2,2,4-trimethyl-N-[4-methyl-5-(methylamino)pentan-2-yl]-5-oxopentanamide
SMILESCC.CC.CC.CNCC(C)CC(C)NC(=O)C(C)(C)CC(C)C=O
InChIInChI=1S/C15H30N2O2.3C2H6/c1-11(9-16-6)7-13(3)17-14(19)15(4,5)8-12(2)10-18;3*1-2/h10-13,16H,7-9H2,1-6H3,(H,17,19);3*1-2H3
InChIKeyLTFLAVDGCABAEA-UHFFFAOYSA-N
MW360.63 g/mol
LogP5.07
Rot. Bonds9

About ethane;2,2,4-trimethyl-N-[4-methyl-5-(methylamino)pentan-2-yl]-5-oxopentanamide

ethane;2,2,4-trimethyl-N-[4-methyl-5-(methylamino)pentan-2-yl]-5-oxopentanamide (PubChem CID 145023142) has the molecular formula C21H48N2O2 and a molecular weight of 360.63 g/mol. Its IUPAC name is ethane;2,2,4-trimethyl-N-[4-methyl-5-(methylamino)pentan-2-yl]-5-oxopentanamide.

Molecular Properties

Compound Nameethane;2,2,4-trimethyl-N-[4-methyl-5-(methylamino)pentan-2-yl]-5-oxopentanamide
PubChem CID145023142
Molecular FormulaC21H48N2O2
Molecular Weight360.63 g/mol
Exact Mass360.37
IUPAC Nameethane;2,2,4-trimethyl-N-[4-methyl-5-(methylamino)pentan-2-yl]-5-oxopentanamide
SMILESCC.CC.CC.CNCC(C)CC(C)NC(=O)C(C)(C)CC(C)C=O
InChIInChI=1S/C15H30N2O2.3C2H6/c1-11(9-16-6)7-13(3)17-14(19)15(4,5)8-12(2)10-18;3*1-2/h10-13,16H,7-9H2,1-6H3,(H,17,19);3*1-2H3
InChIKeyLTFLAVDGCABAEA-UHFFFAOYSA-N
XLogP5.07
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500360.63
LogP ≤ 55.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of ethane;2,2,4-trimethyl-N-[4-methyl-5-(methylamino)pentan-2-yl]-5-oxopentanamide?
The IUPAC name of ethane;2,2,4-trimethyl-N-[4-methyl-5-(methylamino)pentan-2-yl]-5-oxopentanamide (CID 145023142) is ethane;2,2,4-trimethyl-N-[4-methyl-5-(methylamino)pentan-2-yl]-5-oxopentanamide.
What is the SMILES notation for ethane;2,2,4-trimethyl-N-[4-methyl-5-(methylamino)pentan-2-yl]-5-oxopentanamide?
The canonical SMILES for ethane;2,2,4-trimethyl-N-[4-methyl-5-(methylamino)pentan-2-yl]-5-oxopentanamide is CC.CC.CC.CNCC(C)CC(C)NC(=O)C(C)(C)CC(C)C=O.
What is the InChIKey of ethane;2,2,4-trimethyl-N-[4-methyl-5-(methylamino)pentan-2-yl]-5-oxopentanamide?
The InChIKey is LTFLAVDGCABAEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30N2O2.3C2H6/c1-11(9-16-6)7-13(3)17-14(19)15(4,5)8-12(2)10-18;3*1-2/h10-13,16H,7-9H2,1-6H3,(H,17,19);3*1-2H3.
What are the key properties of ethane;2,2,4-trimethyl-N-[4-methyl-5-(methylamino)pentan-2-yl]-5-oxopentanamide?
ethane;2,2,4-trimethyl-N-[4-methyl-5-(methylamino)pentan-2-yl]-5-oxopentanamide has a molecular weight of 360.63 g/mol, XLogP of 5.07, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;2,2,4-trimethyl-N-[4-methyl-5-(methylamino)pentan-2-yl]-5-oxopentanamide is sourced from PubChem (CID 145023142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).