N-ethyl-N-[(5-methylfuran-2-yl)methyl]-2-(2-propan-2-ylimidazol-1-yl)propanamide

C17H25N3O2 — CID 50965887

IUPACN-ethyl-N-[(5-methylfuran-2-yl)methyl]-2-(2-propan-2-ylimidazol-1-yl)propanamide
SMILESCCN(Cc1ccc(C)o1)C(=O)C(C)n1ccnc1C(C)C
InChIInChI=1S/C17H25N3O2/c1-6-19(11-15-8-7-13(4)22-15)17(21)14(5)20-10-9-18-16(20)12(2)3/h7-10,12,14H,6,11H2,1-5H3
InChIKeyUMEQRBZFXHDXPU-UHFFFAOYSA-N
MW303.41 g/mol
LogP3.52
Rot. Bonds6

About N-ethyl-N-[(5-methylfuran-2-yl)methyl]-2-(2-propan-2-ylimidazol-1-yl)propanamide

N-ethyl-N-[(5-methylfuran-2-yl)methyl]-2-(2-propan-2-ylimidazol-1-yl)propanamide (PubChem CID 50965887) has the molecular formula C17H25N3O2 and a molecular weight of 303.41 g/mol. Its IUPAC name is N-ethyl-N-[(5-methylfuran-2-yl)methyl]-2-(2-propan-2-ylimidazol-1-yl)propanamide.

Molecular Properties

Compound NameN-ethyl-N-[(5-methylfuran-2-yl)methyl]-2-(2-propan-2-ylimidazol-1-yl)propanamide
PubChem CID50965887
Molecular FormulaC17H25N3O2
Molecular Weight303.41 g/mol
Exact Mass303.19
IUPAC NameN-ethyl-N-[(5-methylfuran-2-yl)methyl]-2-(2-propan-2-ylimidazol-1-yl)propanamide
SMILESCCN(Cc1ccc(C)o1)C(=O)C(C)n1ccnc1C(C)C
InChIInChI=1S/C17H25N3O2/c1-6-19(11-15-8-7-13(4)22-15)17(21)14(5)20-10-9-18-16(20)12(2)3/h7-10,12,14H,6,11H2,1-5H3
InChIKeyUMEQRBZFXHDXPU-UHFFFAOYSA-N
XLogP3.52
TPSA51.27 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.41
LogP ≤ 53.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

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CID 2885920
CID 3330803
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CID 75382649
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CID 12361517
CID 12361517
CID 13371087
CID 13371087
CID 13371089
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CID 137661236
CID 137661236
CID 16676932
CID 16676932

Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-[(5-methylfuran-2-yl)methyl]-2-(2-propan-2-ylimidazol-1-yl)propanamide?
The IUPAC name of N-ethyl-N-[(5-methylfuran-2-yl)methyl]-2-(2-propan-2-ylimidazol-1-yl)propanamide (CID 50965887) is N-ethyl-N-[(5-methylfuran-2-yl)methyl]-2-(2-propan-2-ylimidazol-1-yl)propanamide.
What is the SMILES notation for N-ethyl-N-[(5-methylfuran-2-yl)methyl]-2-(2-propan-2-ylimidazol-1-yl)propanamide?
The canonical SMILES for N-ethyl-N-[(5-methylfuran-2-yl)methyl]-2-(2-propan-2-ylimidazol-1-yl)propanamide is CCN(Cc1ccc(C)o1)C(=O)C(C)n1ccnc1C(C)C.
What is the InChIKey of N-ethyl-N-[(5-methylfuran-2-yl)methyl]-2-(2-propan-2-ylimidazol-1-yl)propanamide?
The InChIKey is UMEQRBZFXHDXPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3O2/c1-6-19(11-15-8-7-13(4)22-15)17(21)14(5)20-10-9-18-16(20)12(2)3/h7-10,12,14H,6,11H2,1-5H3.
What are the key properties of N-ethyl-N-[(5-methylfuran-2-yl)methyl]-2-(2-propan-2-ylimidazol-1-yl)propanamide?
N-ethyl-N-[(5-methylfuran-2-yl)methyl]-2-(2-propan-2-ylimidazol-1-yl)propanamide has a molecular weight of 303.41 g/mol, XLogP of 3.52, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-[(5-methylfuran-2-yl)methyl]-2-(2-propan-2-ylimidazol-1-yl)propanamide is sourced from PubChem (CID 50965887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).