2-methoxy-N-[5-[[2-[(2-methylpropan-2-yl)oxy]acetyl]amino]pentyl]acetamide;2-methylpropane

C18H38N2O4 — CID 142043656

IUPAC2-methoxy-N-[5-[[2-[(2-methylpropan-2-yl)oxy]acetyl]amino]pentyl]acetamide;2-methylpropane
SMILESCC(C)C.COCC(=O)NCCCCCNC(=O)COC(C)(C)C
InChIInChI=1S/C14H28N2O4.C4H10/c1-14(2,3)20-11-13(18)16-9-7-5-6-8-15-12(17)10-19-4;1-4(2)3/h5-11H2,1-4H3,(H,15,17)(H,16,18);4H,1-3H3
InChIKeySYHKTVLZPZKJCV-UHFFFAOYSA-N
MW346.51 g/mol
LogP2.51
Rot. Bonds10

About 2-methoxy-N-[5-[[2-[(2-methylpropan-2-yl)oxy]acetyl]amino]pentyl]acetamide;2-methylpropane

2-methoxy-N-[5-[[2-[(2-methylpropan-2-yl)oxy]acetyl]amino]pentyl]acetamide;2-methylpropane (PubChem CID 142043656) has the molecular formula C18H38N2O4 and a molecular weight of 346.51 g/mol. Its IUPAC name is 2-methoxy-N-[5-[[2-[(2-methylpropan-2-yl)oxy]acetyl]amino]pentyl]acetamide;2-methylpropane.

Molecular Properties

Compound Name2-methoxy-N-[5-[[2-[(2-methylpropan-2-yl)oxy]acetyl]amino]pentyl]acetamide;2-methylpropane
PubChem CID142043656
Molecular FormulaC18H38N2O4
Molecular Weight346.51 g/mol
Exact Mass346.28
IUPAC Name2-methoxy-N-[5-[[2-[(2-methylpropan-2-yl)oxy]acetyl]amino]pentyl]acetamide;2-methylpropane
SMILESCC(C)C.COCC(=O)NCCCCCNC(=O)COC(C)(C)C
InChIInChI=1S/C14H28N2O4.C4H10/c1-14(2,3)20-11-13(18)16-9-7-5-6-8-15-12(17)10-19-4;1-4(2)3/h5-11H2,1-4H3,(H,15,17)(H,16,18);4H,1-3H3
InChIKeySYHKTVLZPZKJCV-UHFFFAOYSA-N
XLogP2.51
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.51
LogP ≤ 52.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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 2-methoxy-N-[5-[[2-[(2-methylpropan-2-yl)oxy]acetyl]amino]pentyl]acetamide;2-methylpropane?
The IUPAC name of 2-methoxy-N-[5-[[2-[(2-methylpropan-2-yl)oxy]acetyl]amino]pentyl]acetamide;2-methylpropane (CID 142043656) is 2-methoxy-N-[5-[[2-[(2-methylpropan-2-yl)oxy]acetyl]amino]pentyl]acetamide;2-methylpropane.
What is the SMILES notation for 2-methoxy-N-[5-[[2-[(2-methylpropan-2-yl)oxy]acetyl]amino]pentyl]acetamide;2-methylpropane?
The canonical SMILES for 2-methoxy-N-[5-[[2-[(2-methylpropan-2-yl)oxy]acetyl]amino]pentyl]acetamide;2-methylpropane is CC(C)C.COCC(=O)NCCCCCNC(=O)COC(C)(C)C.
What is the InChIKey of 2-methoxy-N-[5-[[2-[(2-methylpropan-2-yl)oxy]acetyl]amino]pentyl]acetamide;2-methylpropane?
The InChIKey is SYHKTVLZPZKJCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N2O4.C4H10/c1-14(2,3)20-11-13(18)16-9-7-5-6-8-15-12(17)10-19-4;1-4(2)3/h5-11H2,1-4H3,(H,15,17)(H,16,18);4H,1-3H3.
What are the key properties of 2-methoxy-N-[5-[[2-[(2-methylpropan-2-yl)oxy]acetyl]amino]pentyl]acetamide;2-methylpropane?
2-methoxy-N-[5-[[2-[(2-methylpropan-2-yl)oxy]acetyl]amino]pentyl]acetamide;2-methylpropane has a molecular weight of 346.51 g/mol, XLogP of 2.51, 10 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-N-[5-[[2-[(2-methylpropan-2-yl)oxy]acetyl]amino]pentyl]acetamide;2-methylpropane is sourced from PubChem (CID 142043656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).