N-[2-(furan-2-yl)-2-hydroxypropyl]-3-(2-propan-2-ylimidazol-1-yl)propanamide

C16H23N3O3 — CID 71860032

IUPACN-[2-(furan-2-yl)-2-hydroxypropyl]-3-(2-propan-2-ylimidazol-1-yl)propanamide
SMILESCC(C)c1nccn1CCC(=O)NCC(C)(O)c1ccco1
InChIInChI=1S/C16H23N3O3/c1-12(2)15-17-7-9-19(15)8-6-14(20)18-11-16(3,21)13-5-4-10-22-13/h4-5,7,9-10,12,21H,6,8,11H2,1-3H3,(H,18,20)
InChIKeyRAEXXSKLOWKKEL-UHFFFAOYSA-N
MW305.38 g/mol
LogP2.01
Rot. Bonds7

About N-[2-(furan-2-yl)-2-hydroxypropyl]-3-(2-propan-2-ylimidazol-1-yl)propanamide

N-[2-(furan-2-yl)-2-hydroxypropyl]-3-(2-propan-2-ylimidazol-1-yl)propanamide (PubChem CID 71860032) has the molecular formula C16H23N3O3 and a molecular weight of 305.38 g/mol. Its IUPAC name is N-[2-(furan-2-yl)-2-hydroxypropyl]-3-(2-propan-2-ylimidazol-1-yl)propanamide.

Molecular Properties

Compound NameN-[2-(furan-2-yl)-2-hydroxypropyl]-3-(2-propan-2-ylimidazol-1-yl)propanamide
PubChem CID71860032
Molecular FormulaC16H23N3O3
Molecular Weight305.38 g/mol
Exact Mass305.17
IUPAC NameN-[2-(furan-2-yl)-2-hydroxypropyl]-3-(2-propan-2-ylimidazol-1-yl)propanamide
SMILESCC(C)c1nccn1CCC(=O)NCC(C)(O)c1ccco1
InChIInChI=1S/C16H23N3O3/c1-12(2)15-17-7-9-19(15)8-6-14(20)18-11-16(3,21)13-5-4-10-22-13/h4-5,7,9-10,12,21H,6,8,11H2,1-3H3,(H,18,20)
InChIKeyRAEXXSKLOWKKEL-UHFFFAOYSA-N
XLogP2.01
TPSA80.29 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.38
LogP ≤ 52.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[2-(furan-2-yl)-2-hydroxypropyl]-3-(2-propan-2-ylimidazol-1-yl)propanamide?
The IUPAC name of N-[2-(furan-2-yl)-2-hydroxypropyl]-3-(2-propan-2-ylimidazol-1-yl)propanamide (CID 71860032) is N-[2-(furan-2-yl)-2-hydroxypropyl]-3-(2-propan-2-ylimidazol-1-yl)propanamide.
What is the SMILES notation for N-[2-(furan-2-yl)-2-hydroxypropyl]-3-(2-propan-2-ylimidazol-1-yl)propanamide?
The canonical SMILES for N-[2-(furan-2-yl)-2-hydroxypropyl]-3-(2-propan-2-ylimidazol-1-yl)propanamide is CC(C)c1nccn1CCC(=O)NCC(C)(O)c1ccco1.
What is the InChIKey of N-[2-(furan-2-yl)-2-hydroxypropyl]-3-(2-propan-2-ylimidazol-1-yl)propanamide?
The InChIKey is RAEXXSKLOWKKEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O3/c1-12(2)15-17-7-9-19(15)8-6-14(20)18-11-16(3,21)13-5-4-10-22-13/h4-5,7,9-10,12,21H,6,8,11H2,1-3H3,(H,18,20).
What are the key properties of N-[2-(furan-2-yl)-2-hydroxypropyl]-3-(2-propan-2-ylimidazol-1-yl)propanamide?
N-[2-(furan-2-yl)-2-hydroxypropyl]-3-(2-propan-2-ylimidazol-1-yl)propanamide has a molecular weight of 305.38 g/mol, XLogP of 2.01, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(furan-2-yl)-2-hydroxypropyl]-3-(2-propan-2-ylimidazol-1-yl)propanamide is sourced from PubChem (CID 71860032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).