2-acetamido-N-[1-[furan-2-yl(2-methylpropyl)amino]-1-oxopropan-2-yl]propanamide

C16H25N3O4 — CID 67176170

IUPAC2-acetamido-N-[1-[furan-2-yl(2-methylpropyl)amino]-1-oxopropan-2-yl]propanamide
SMILESCC(=O)NC(C)C(=O)NC(C)C(=O)N(CC(C)C)c1ccco1
InChIInChI=1S/C16H25N3O4/c1-10(2)9-19(14-7-6-8-23-14)16(22)12(4)18-15(21)11(3)17-13(5)20/h6-8,10-12H,9H2,1-5H3,(H,17,20)(H,18,21)
InChIKeyJEQIYGVWLNKBDC-UHFFFAOYSA-N
MW323.39 g/mol
LogP1.30
Rot. Bonds7

About 2-acetamido-N-[1-[furan-2-yl(2-methylpropyl)amino]-1-oxopropan-2-yl]propanamide

2-acetamido-N-[1-[furan-2-yl(2-methylpropyl)amino]-1-oxopropan-2-yl]propanamide (PubChem CID 67176170) has the molecular formula C16H25N3O4 and a molecular weight of 323.39 g/mol. Its IUPAC name is 2-acetamido-N-[1-[furan-2-yl(2-methylpropyl)amino]-1-oxopropan-2-yl]propanamide.

Molecular Properties

Compound Name2-acetamido-N-[1-[furan-2-yl(2-methylpropyl)amino]-1-oxopropan-2-yl]propanamide
PubChem CID67176170
Molecular FormulaC16H25N3O4
Molecular Weight323.39 g/mol
Exact Mass323.18
IUPAC Name2-acetamido-N-[1-[furan-2-yl(2-methylpropyl)amino]-1-oxopropan-2-yl]propanamide
SMILESCC(=O)NC(C)C(=O)NC(C)C(=O)N(CC(C)C)c1ccco1
InChIInChI=1S/C16H25N3O4/c1-10(2)9-19(14-7-6-8-23-14)16(22)12(4)18-15(21)11(3)17-13(5)20/h6-8,10-12H,9H2,1-5H3,(H,17,20)(H,18,21)
InChIKeyJEQIYGVWLNKBDC-UHFFFAOYSA-N
XLogP1.30
TPSA91.65 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.39
LogP ≤ 51.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-acetamido-N-[1-[furan-2-yl(2-methylpropyl)amino]-1-oxopropan-2-yl]propanamide?
The IUPAC name of 2-acetamido-N-[1-[furan-2-yl(2-methylpropyl)amino]-1-oxopropan-2-yl]propanamide (CID 67176170) is 2-acetamido-N-[1-[furan-2-yl(2-methylpropyl)amino]-1-oxopropan-2-yl]propanamide.
What is the SMILES notation for 2-acetamido-N-[1-[furan-2-yl(2-methylpropyl)amino]-1-oxopropan-2-yl]propanamide?
The canonical SMILES for 2-acetamido-N-[1-[furan-2-yl(2-methylpropyl)amino]-1-oxopropan-2-yl]propanamide is CC(=O)NC(C)C(=O)NC(C)C(=O)N(CC(C)C)c1ccco1.
What is the InChIKey of 2-acetamido-N-[1-[furan-2-yl(2-methylpropyl)amino]-1-oxopropan-2-yl]propanamide?
The InChIKey is JEQIYGVWLNKBDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O4/c1-10(2)9-19(14-7-6-8-23-14)16(22)12(4)18-15(21)11(3)17-13(5)20/h6-8,10-12H,9H2,1-5H3,(H,17,20)(H,18,21).
What are the key properties of 2-acetamido-N-[1-[furan-2-yl(2-methylpropyl)amino]-1-oxopropan-2-yl]propanamide?
2-acetamido-N-[1-[furan-2-yl(2-methylpropyl)amino]-1-oxopropan-2-yl]propanamide has a molecular weight of 323.39 g/mol, XLogP of 1.30, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-acetamido-N-[1-[furan-2-yl(2-methylpropyl)amino]-1-oxopropan-2-yl]propanamide is sourced from PubChem (CID 67176170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).