N-ethyl-2-[2-ethyl-4-[1-(ethylamino)ethyl]imidazol-1-yl]acetamide

C13H24N4O — CID 114266036

IUPACN-ethyl-2-[2-ethyl-4-[1-(ethylamino)ethyl]imidazol-1-yl]acetamide
SMILESCCNC(=O)Cn1cc(C(C)NCC)nc1CC
InChIInChI=1S/C13H24N4O/c1-5-12-16-11(10(4)14-6-2)8-17(12)9-13(18)15-7-3/h8,10,14H,5-7,9H2,1-4H3,(H,15,18)
InChIKeyVIQIMZSUDRBPSY-UHFFFAOYSA-N
MW252.36 g/mol
LogP1.25
Rot. Bonds7

About N-ethyl-2-[2-ethyl-4-[1-(ethylamino)ethyl]imidazol-1-yl]acetamide

N-ethyl-2-[2-ethyl-4-[1-(ethylamino)ethyl]imidazol-1-yl]acetamide (PubChem CID 114266036) has the molecular formula C13H24N4O and a molecular weight of 252.36 g/mol. Its IUPAC name is N-ethyl-2-[2-ethyl-4-[1-(ethylamino)ethyl]imidazol-1-yl]acetamide.

Molecular Properties

Compound NameN-ethyl-2-[2-ethyl-4-[1-(ethylamino)ethyl]imidazol-1-yl]acetamide
PubChem CID114266036
Molecular FormulaC13H24N4O
Molecular Weight252.36 g/mol
Exact Mass252.20
IUPAC NameN-ethyl-2-[2-ethyl-4-[1-(ethylamino)ethyl]imidazol-1-yl]acetamide
SMILESCCNC(=O)Cn1cc(C(C)NCC)nc1CC
InChIInChI=1S/C13H24N4O/c1-5-12-16-11(10(4)14-6-2)8-17(12)9-13(18)15-7-3/h8,10,14H,5-7,9H2,1-4H3,(H,15,18)
InChIKeyVIQIMZSUDRBPSY-UHFFFAOYSA-N
XLogP1.25
TPSA58.95 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.36
LogP ≤ 51.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-[2-ethyl-4-[1-(ethylamino)ethyl]imidazol-1-yl]acetamide?
The IUPAC name of N-ethyl-2-[2-ethyl-4-[1-(ethylamino)ethyl]imidazol-1-yl]acetamide (CID 114266036) is N-ethyl-2-[2-ethyl-4-[1-(ethylamino)ethyl]imidazol-1-yl]acetamide.
What is the SMILES notation for N-ethyl-2-[2-ethyl-4-[1-(ethylamino)ethyl]imidazol-1-yl]acetamide?
The canonical SMILES for N-ethyl-2-[2-ethyl-4-[1-(ethylamino)ethyl]imidazol-1-yl]acetamide is CCNC(=O)Cn1cc(C(C)NCC)nc1CC.
What is the InChIKey of N-ethyl-2-[2-ethyl-4-[1-(ethylamino)ethyl]imidazol-1-yl]acetamide?
The InChIKey is VIQIMZSUDRBPSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N4O/c1-5-12-16-11(10(4)14-6-2)8-17(12)9-13(18)15-7-3/h8,10,14H,5-7,9H2,1-4H3,(H,15,18).
What are the key properties of N-ethyl-2-[2-ethyl-4-[1-(ethylamino)ethyl]imidazol-1-yl]acetamide?
N-ethyl-2-[2-ethyl-4-[1-(ethylamino)ethyl]imidazol-1-yl]acetamide has a molecular weight of 252.36 g/mol, XLogP of 1.25, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-[2-ethyl-4-[1-(ethylamino)ethyl]imidazol-1-yl]acetamide is sourced from PubChem (CID 114266036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).