N-[2-[2-[(1R)-1-phenylethyl]imidazol-1-yl]ethyl]acetamide

C15H19N3O — CID 95455710

IUPACN-[2-[2-[(1R)-1-phenylethyl]imidazol-1-yl]ethyl]acetamide
SMILESCC(=O)NCCn1ccnc1[C@H](C)c1ccccc1
InChIInChI=1S/C15H19N3O/c1-12(14-6-4-3-5-7-14)15-17-9-11-18(15)10-8-16-13(2)19/h3-7,9,11-12H,8,10H2,1-2H3,(H,16,19)/t12-/m1/s1
InChIKeyXJQITXOPQJQDGQ-GFCCVEGCSA-N
MW257.34 g/mol
LogP2.17
Rot. Bonds5

About N-[2-[2-[(1R)-1-phenylethyl]imidazol-1-yl]ethyl]acetamide

N-[2-[2-[(1R)-1-phenylethyl]imidazol-1-yl]ethyl]acetamide (PubChem CID 95455710) has the molecular formula C15H19N3O and a molecular weight of 257.34 g/mol. Its IUPAC name is N-[2-[2-[(1R)-1-phenylethyl]imidazol-1-yl]ethyl]acetamide.

Molecular Properties

Compound NameN-[2-[2-[(1R)-1-phenylethyl]imidazol-1-yl]ethyl]acetamide
PubChem CID95455710
Molecular FormulaC15H19N3O
Molecular Weight257.34 g/mol
Exact Mass257.15
IUPAC NameN-[2-[2-[(1R)-1-phenylethyl]imidazol-1-yl]ethyl]acetamide
SMILESCC(=O)NCCn1ccnc1[C@H](C)c1ccccc1
InChIInChI=1S/C15H19N3O/c1-12(14-6-4-3-5-7-14)15-17-9-11-18(15)10-8-16-13(2)19/h3-7,9,11-12H,8,10H2,1-2H3,(H,16,19)/t12-/m1/s1
InChIKeyXJQITXOPQJQDGQ-GFCCVEGCSA-N
XLogP2.17
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.34
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[2-[2-[(1R)-1-phenylethyl]imidazol-1-yl]ethyl]acetamide?
The IUPAC name of N-[2-[2-[(1R)-1-phenylethyl]imidazol-1-yl]ethyl]acetamide (CID 95455710) is N-[2-[2-[(1R)-1-phenylethyl]imidazol-1-yl]ethyl]acetamide.
What is the SMILES notation for N-[2-[2-[(1R)-1-phenylethyl]imidazol-1-yl]ethyl]acetamide?
The canonical SMILES for N-[2-[2-[(1R)-1-phenylethyl]imidazol-1-yl]ethyl]acetamide is CC(=O)NCCn1ccnc1[C@H](C)c1ccccc1.
What is the InChIKey of N-[2-[2-[(1R)-1-phenylethyl]imidazol-1-yl]ethyl]acetamide?
The InChIKey is XJQITXOPQJQDGQ-GFCCVEGCSA-N. The full InChI is InChI=1S/C15H19N3O/c1-12(14-6-4-3-5-7-14)15-17-9-11-18(15)10-8-16-13(2)19/h3-7,9,11-12H,8,10H2,1-2H3,(H,16,19)/t12-/m1/s1.
What are the key properties of N-[2-[2-[(1R)-1-phenylethyl]imidazol-1-yl]ethyl]acetamide?
N-[2-[2-[(1R)-1-phenylethyl]imidazol-1-yl]ethyl]acetamide has a molecular weight of 257.34 g/mol, XLogP of 2.17, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[2-[(1R)-1-phenylethyl]imidazol-1-yl]ethyl]acetamide is sourced from PubChem (CID 95455710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).