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

C16H23N3O2 — CID 56746821

IUPACN-methyl-N-[(5-methylfuran-2-yl)methyl]-2-(2-propan-2-ylimidazol-1-yl)propanamide
SMILESCc1ccc(CN(C)C(=O)C(C)n2ccnc2C(C)C)o1
InChIInChI=1S/C16H23N3O2/c1-11(2)15-17-8-9-19(15)13(4)16(20)18(5)10-14-7-6-12(3)21-14/h6-9,11,13H,10H2,1-5H3
InChIKeyNHEFNDOVWXLTFX-UHFFFAOYSA-N
MW289.38 g/mol
LogP3.13
Rot. Bonds5

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

N-methyl-N-[(5-methylfuran-2-yl)methyl]-2-(2-propan-2-ylimidazol-1-yl)propanamide (PubChem CID 56746821) has the molecular formula C16H23N3O2 and a molecular weight of 289.38 g/mol. Its IUPAC name is N-methyl-N-[(5-methylfuran-2-yl)methyl]-2-(2-propan-2-ylimidazol-1-yl)propanamide.

Molecular Properties

Compound NameN-methyl-N-[(5-methylfuran-2-yl)methyl]-2-(2-propan-2-ylimidazol-1-yl)propanamide
PubChem CID56746821
Molecular FormulaC16H23N3O2
Molecular Weight289.38 g/mol
Exact Mass289.18
IUPAC NameN-methyl-N-[(5-methylfuran-2-yl)methyl]-2-(2-propan-2-ylimidazol-1-yl)propanamide
SMILESCc1ccc(CN(C)C(=O)C(C)n2ccnc2C(C)C)o1
InChIInChI=1S/C16H23N3O2/c1-11(2)15-17-8-9-19(15)13(4)16(20)18(5)10-14-7-6-12(3)21-14/h6-9,11,13H,10H2,1-5H3
InChIKeyNHEFNDOVWXLTFX-UHFFFAOYSA-N
XLogP3.13
TPSA51.27 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.38
LogP ≤ 53.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[(5-methylfuran-2-yl)methyl]-2-(2-propan-2-ylimidazol-1-yl)propanamide?
The IUPAC name of N-methyl-N-[(5-methylfuran-2-yl)methyl]-2-(2-propan-2-ylimidazol-1-yl)propanamide (CID 56746821) is N-methyl-N-[(5-methylfuran-2-yl)methyl]-2-(2-propan-2-ylimidazol-1-yl)propanamide.
What is the SMILES notation for N-methyl-N-[(5-methylfuran-2-yl)methyl]-2-(2-propan-2-ylimidazol-1-yl)propanamide?
The canonical SMILES for N-methyl-N-[(5-methylfuran-2-yl)methyl]-2-(2-propan-2-ylimidazol-1-yl)propanamide is Cc1ccc(CN(C)C(=O)C(C)n2ccnc2C(C)C)o1.
What is the InChIKey of N-methyl-N-[(5-methylfuran-2-yl)methyl]-2-(2-propan-2-ylimidazol-1-yl)propanamide?
The InChIKey is NHEFNDOVWXLTFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O2/c1-11(2)15-17-8-9-19(15)13(4)16(20)18(5)10-14-7-6-12(3)21-14/h6-9,11,13H,10H2,1-5H3.
What are the key properties of N-methyl-N-[(5-methylfuran-2-yl)methyl]-2-(2-propan-2-ylimidazol-1-yl)propanamide?
N-methyl-N-[(5-methylfuran-2-yl)methyl]-2-(2-propan-2-ylimidazol-1-yl)propanamide has a molecular weight of 289.38 g/mol, XLogP of 3.13, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[(5-methylfuran-2-yl)methyl]-2-(2-propan-2-ylimidazol-1-yl)propanamide is sourced from PubChem (CID 56746821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).