2,2-diethyl-4-[3-ethyl-1-(4-methylpentanoylamino)pentan-3-yl]oxy-N-propan-2-ylbutanamide;ethane

C30H66N2O3 — CID 145101125

IUPAC2,2-diethyl-4-[3-ethyl-1-(4-methylpentanoylamino)pentan-3-yl]oxy-N-propan-2-ylbutanamide;ethane
SMILESCC.CC.CC.CCC(CC)(CCNC(=O)CCC(C)C)OCCC(CC)(CC)C(=O)NC(C)C
InChIInChI=1S/C24H48N2O3.3C2H6/c1-9-23(10-2,22(28)26-20(7)8)16-18-29-24(11-3,12-4)15-17-25-21(27)14-13-19(5)6;3*1-2/h19-20H,9-18H2,1-8H3,(H,25,27)(H,26,28);3*1-2H3
InChIKeyCWHSOWNZMCSGKP-UHFFFAOYSA-N
MW502.87 g/mol
LogP8.30
Rot. Bonds16

About 2,2-diethyl-4-[3-ethyl-1-(4-methylpentanoylamino)pentan-3-yl]oxy-N-propan-2-ylbutanamide;ethane

2,2-diethyl-4-[3-ethyl-1-(4-methylpentanoylamino)pentan-3-yl]oxy-N-propan-2-ylbutanamide;ethane (PubChem CID 145101125) has the molecular formula C30H66N2O3 and a molecular weight of 502.87 g/mol. Its IUPAC name is 2,2-diethyl-4-[3-ethyl-1-(4-methylpentanoylamino)pentan-3-yl]oxy-N-propan-2-ylbutanamide;ethane.

Molecular Properties

Compound Name2,2-diethyl-4-[3-ethyl-1-(4-methylpentanoylamino)pentan-3-yl]oxy-N-propan-2-ylbutanamide;ethane
PubChem CID145101125
Molecular FormulaC30H66N2O3
Molecular Weight502.87 g/mol
Exact Mass502.51
IUPAC Name2,2-diethyl-4-[3-ethyl-1-(4-methylpentanoylamino)pentan-3-yl]oxy-N-propan-2-ylbutanamide;ethane
SMILESCC.CC.CC.CCC(CC)(CCNC(=O)CCC(C)C)OCCC(CC)(CC)C(=O)NC(C)C
InChIInChI=1S/C24H48N2O3.3C2H6/c1-9-23(10-2,22(28)26-20(7)8)16-18-29-24(11-3,12-4)15-17-25-21(27)14-13-19(5)6;3*1-2/h19-20H,9-18H2,1-8H3,(H,25,27)(H,26,28);3*1-2H3
InChIKeyCWHSOWNZMCSGKP-UHFFFAOYSA-N
XLogP8.30
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds16
Heavy Atoms35
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500502.87
LogP ≤ 58.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2,2-diethyl-4-[3-ethyl-1-(4-methylpentanoylamino)pentan-3-yl]oxy-N-propan-2-ylbutanamide;ethane?
The IUPAC name of 2,2-diethyl-4-[3-ethyl-1-(4-methylpentanoylamino)pentan-3-yl]oxy-N-propan-2-ylbutanamide;ethane (CID 145101125) is 2,2-diethyl-4-[3-ethyl-1-(4-methylpentanoylamino)pentan-3-yl]oxy-N-propan-2-ylbutanamide;ethane.
What is the SMILES notation for 2,2-diethyl-4-[3-ethyl-1-(4-methylpentanoylamino)pentan-3-yl]oxy-N-propan-2-ylbutanamide;ethane?
The canonical SMILES for 2,2-diethyl-4-[3-ethyl-1-(4-methylpentanoylamino)pentan-3-yl]oxy-N-propan-2-ylbutanamide;ethane is CC.CC.CC.CCC(CC)(CCNC(=O)CCC(C)C)OCCC(CC)(CC)C(=O)NC(C)C.
What is the InChIKey of 2,2-diethyl-4-[3-ethyl-1-(4-methylpentanoylamino)pentan-3-yl]oxy-N-propan-2-ylbutanamide;ethane?
The InChIKey is CWHSOWNZMCSGKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H48N2O3.3C2H6/c1-9-23(10-2,22(28)26-20(7)8)16-18-29-24(11-3,12-4)15-17-25-21(27)14-13-19(5)6;3*1-2/h19-20H,9-18H2,1-8H3,(H,25,27)(H,26,28);3*1-2H3.
What are the key properties of 2,2-diethyl-4-[3-ethyl-1-(4-methylpentanoylamino)pentan-3-yl]oxy-N-propan-2-ylbutanamide;ethane?
2,2-diethyl-4-[3-ethyl-1-(4-methylpentanoylamino)pentan-3-yl]oxy-N-propan-2-ylbutanamide;ethane has a molecular weight of 502.87 g/mol, XLogP of 8.30, 16 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-diethyl-4-[3-ethyl-1-(4-methylpentanoylamino)pentan-3-yl]oxy-N-propan-2-ylbutanamide;ethane is sourced from PubChem (CID 145101125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).