2-(methylamino)-N-[2-methyl-4-[2-methyl-4-(methylamino)butan-2-yl]oxybutan-2-yl]acetamide

C14H31N3O2 — CID 178000596

IUPAC2-(methylamino)-N-[2-methyl-4-[2-methyl-4-(methylamino)butan-2-yl]oxybutan-2-yl]acetamide
SMILESCNCCC(C)(C)OCCC(C)(C)NC(=O)CNC
InChIInChI=1S/C14H31N3O2/c1-13(2,17-12(18)11-16-6)8-10-19-14(3,4)7-9-15-5/h15-16H,7-11H2,1-6H3,(H,17,18)
InChIKeyIKDXIOQEIHCWBB-UHFFFAOYSA-N
MW273.42 g/mol
LogP0.90
Rot. Bonds10

About 2-(methylamino)-N-[2-methyl-4-[2-methyl-4-(methylamino)butan-2-yl]oxybutan-2-yl]acetamide

2-(methylamino)-N-[2-methyl-4-[2-methyl-4-(methylamino)butan-2-yl]oxybutan-2-yl]acetamide (PubChem CID 178000596) has the molecular formula C14H31N3O2 and a molecular weight of 273.42 g/mol. Its IUPAC name is 2-(methylamino)-N-[2-methyl-4-[2-methyl-4-(methylamino)butan-2-yl]oxybutan-2-yl]acetamide.

Molecular Properties

Compound Name2-(methylamino)-N-[2-methyl-4-[2-methyl-4-(methylamino)butan-2-yl]oxybutan-2-yl]acetamide
PubChem CID178000596
Molecular FormulaC14H31N3O2
Molecular Weight273.42 g/mol
Exact Mass273.24
IUPAC Name2-(methylamino)-N-[2-methyl-4-[2-methyl-4-(methylamino)butan-2-yl]oxybutan-2-yl]acetamide
SMILESCNCCC(C)(C)OCCC(C)(C)NC(=O)CNC
InChIInChI=1S/C14H31N3O2/c1-13(2,17-12(18)11-16-6)8-10-19-14(3,4)7-9-15-5/h15-16H,7-11H2,1-6H3,(H,17,18)
InChIKeyIKDXIOQEIHCWBB-UHFFFAOYSA-N
XLogP0.90
TPSA62.39 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.42
LogP ≤ 50.90
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(methylamino)-N-[2-methyl-4-[2-methyl-4-(methylamino)butan-2-yl]oxybutan-2-yl]acetamide?
The IUPAC name of 2-(methylamino)-N-[2-methyl-4-[2-methyl-4-(methylamino)butan-2-yl]oxybutan-2-yl]acetamide (CID 178000596) is 2-(methylamino)-N-[2-methyl-4-[2-methyl-4-(methylamino)butan-2-yl]oxybutan-2-yl]acetamide.
What is the SMILES notation for 2-(methylamino)-N-[2-methyl-4-[2-methyl-4-(methylamino)butan-2-yl]oxybutan-2-yl]acetamide?
The canonical SMILES for 2-(methylamino)-N-[2-methyl-4-[2-methyl-4-(methylamino)butan-2-yl]oxybutan-2-yl]acetamide is CNCCC(C)(C)OCCC(C)(C)NC(=O)CNC.
What is the InChIKey of 2-(methylamino)-N-[2-methyl-4-[2-methyl-4-(methylamino)butan-2-yl]oxybutan-2-yl]acetamide?
The InChIKey is IKDXIOQEIHCWBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H31N3O2/c1-13(2,17-12(18)11-16-6)8-10-19-14(3,4)7-9-15-5/h15-16H,7-11H2,1-6H3,(H,17,18).
What are the key properties of 2-(methylamino)-N-[2-methyl-4-[2-methyl-4-(methylamino)butan-2-yl]oxybutan-2-yl]acetamide?
2-(methylamino)-N-[2-methyl-4-[2-methyl-4-(methylamino)butan-2-yl]oxybutan-2-yl]acetamide has a molecular weight of 273.42 g/mol, XLogP of 0.90, 10 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(methylamino)-N-[2-methyl-4-[2-methyl-4-(methylamino)butan-2-yl]oxybutan-2-yl]acetamide is sourced from PubChem (CID 178000596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).