4-amino-3-[butan-2-yl(2-methoxyethyl)amino]-N-propylbutanamide

C14H31N3O2 — CID 66428258

IUPAC4-amino-3-[butan-2-yl(2-methoxyethyl)amino]-N-propylbutanamide
SMILESCCCNC(=O)CC(CN)N(CCOC)C(C)CC
InChIInChI=1S/C14H31N3O2/c1-5-7-16-14(18)10-13(11-15)17(8-9-19-4)12(3)6-2/h12-13H,5-11,15H2,1-4H3,(H,16,18)
InChIKeyZNGSBUOWAIVOML-UHFFFAOYSA-N
MW273.42 g/mol
LogP0.98
Rot. Bonds11

About 4-amino-3-[butan-2-yl(2-methoxyethyl)amino]-N-propylbutanamide

4-amino-3-[butan-2-yl(2-methoxyethyl)amino]-N-propylbutanamide (PubChem CID 66428258) has the molecular formula C14H31N3O2 and a molecular weight of 273.42 g/mol. Its IUPAC name is 4-amino-3-[butan-2-yl(2-methoxyethyl)amino]-N-propylbutanamide.

Molecular Properties

Compound Name4-amino-3-[butan-2-yl(2-methoxyethyl)amino]-N-propylbutanamide
PubChem CID66428258
Molecular FormulaC14H31N3O2
Molecular Weight273.42 g/mol
Exact Mass273.24
IUPAC Name4-amino-3-[butan-2-yl(2-methoxyethyl)amino]-N-propylbutanamide
SMILESCCCNC(=O)CC(CN)N(CCOC)C(C)CC
InChIInChI=1S/C14H31N3O2/c1-5-7-16-14(18)10-13(11-15)17(8-9-19-4)12(3)6-2/h12-13H,5-11,15H2,1-4H3,(H,16,18)
InChIKeyZNGSBUOWAIVOML-UHFFFAOYSA-N
XLogP0.98
TPSA67.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.42
LogP ≤ 50.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-amino-3-[butan-2-yl(2-methoxyethyl)amino]-N-propylbutanamide?
The IUPAC name of 4-amino-3-[butan-2-yl(2-methoxyethyl)amino]-N-propylbutanamide (CID 66428258) is 4-amino-3-[butan-2-yl(2-methoxyethyl)amino]-N-propylbutanamide.
What is the SMILES notation for 4-amino-3-[butan-2-yl(2-methoxyethyl)amino]-N-propylbutanamide?
The canonical SMILES for 4-amino-3-[butan-2-yl(2-methoxyethyl)amino]-N-propylbutanamide is CCCNC(=O)CC(CN)N(CCOC)C(C)CC.
What is the InChIKey of 4-amino-3-[butan-2-yl(2-methoxyethyl)amino]-N-propylbutanamide?
The InChIKey is ZNGSBUOWAIVOML-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H31N3O2/c1-5-7-16-14(18)10-13(11-15)17(8-9-19-4)12(3)6-2/h12-13H,5-11,15H2,1-4H3,(H,16,18).
What are the key properties of 4-amino-3-[butan-2-yl(2-methoxyethyl)amino]-N-propylbutanamide?
4-amino-3-[butan-2-yl(2-methoxyethyl)amino]-N-propylbutanamide has a molecular weight of 273.42 g/mol, XLogP of 0.98, 11 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-3-[butan-2-yl(2-methoxyethyl)amino]-N-propylbutanamide is sourced from PubChem (CID 66428258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).