N-[3-[2-[(1-ethylimidazol-2-yl)methyl-methylamino]-2-oxoethoxy]phenyl]propanamide

C18H24N4O3 — CID 50982810

IUPACN-[3-[2-[(1-ethylimidazol-2-yl)methyl-methylamino]-2-oxoethoxy]phenyl]propanamide
SMILESCCC(=O)Nc1cccc(OCC(=O)N(C)Cc2nccn2CC)c1
InChIInChI=1S/C18H24N4O3/c1-4-17(23)20-14-7-6-8-15(11-14)25-13-18(24)21(3)12-16-19-9-10-22(16)5-2/h6-11H,4-5,12-13H2,1-3H3,(H,20,23)
InChIKeyIIQCWNOTMZZMRB-UHFFFAOYSA-N
MW344.42 g/mol
LogP2.29
Rot. Bonds8

About N-[3-[2-[(1-ethylimidazol-2-yl)methyl-methylamino]-2-oxoethoxy]phenyl]propanamide

N-[3-[2-[(1-ethylimidazol-2-yl)methyl-methylamino]-2-oxoethoxy]phenyl]propanamide (PubChem CID 50982810) has the molecular formula C18H24N4O3 and a molecular weight of 344.42 g/mol. Its IUPAC name is N-[3-[2-[(1-ethylimidazol-2-yl)methyl-methylamino]-2-oxoethoxy]phenyl]propanamide.

Molecular Properties

Compound NameN-[3-[2-[(1-ethylimidazol-2-yl)methyl-methylamino]-2-oxoethoxy]phenyl]propanamide
PubChem CID50982810
Molecular FormulaC18H24N4O3
Molecular Weight344.42 g/mol
Exact Mass344.18
IUPAC NameN-[3-[2-[(1-ethylimidazol-2-yl)methyl-methylamino]-2-oxoethoxy]phenyl]propanamide
SMILESCCC(=O)Nc1cccc(OCC(=O)N(C)Cc2nccn2CC)c1
InChIInChI=1S/C18H24N4O3/c1-4-17(23)20-14-7-6-8-15(11-14)25-13-18(24)21(3)12-16-19-9-10-22(16)5-2/h6-11H,4-5,12-13H2,1-3H3,(H,20,23)
InChIKeyIIQCWNOTMZZMRB-UHFFFAOYSA-N
XLogP2.29
TPSA76.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.42
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[3-[2-[(1-ethylimidazol-2-yl)methyl-methylamino]-2-oxoethoxy]phenyl]propanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[3-[2-[(1-ethylimidazol-2-yl)methyl-methylamino]-2-oxoethoxy]phenyl]propanamide?
The IUPAC name of N-[3-[2-[(1-ethylimidazol-2-yl)methyl-methylamino]-2-oxoethoxy]phenyl]propanamide (CID 50982810) is N-[3-[2-[(1-ethylimidazol-2-yl)methyl-methylamino]-2-oxoethoxy]phenyl]propanamide.
What is the SMILES notation for N-[3-[2-[(1-ethylimidazol-2-yl)methyl-methylamino]-2-oxoethoxy]phenyl]propanamide?
The canonical SMILES for N-[3-[2-[(1-ethylimidazol-2-yl)methyl-methylamino]-2-oxoethoxy]phenyl]propanamide is CCC(=O)Nc1cccc(OCC(=O)N(C)Cc2nccn2CC)c1.
What is the InChIKey of N-[3-[2-[(1-ethylimidazol-2-yl)methyl-methylamino]-2-oxoethoxy]phenyl]propanamide?
The InChIKey is IIQCWNOTMZZMRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N4O3/c1-4-17(23)20-14-7-6-8-15(11-14)25-13-18(24)21(3)12-16-19-9-10-22(16)5-2/h6-11H,4-5,12-13H2,1-3H3,(H,20,23).
What are the key properties of N-[3-[2-[(1-ethylimidazol-2-yl)methyl-methylamino]-2-oxoethoxy]phenyl]propanamide?
N-[3-[2-[(1-ethylimidazol-2-yl)methyl-methylamino]-2-oxoethoxy]phenyl]propanamide has a molecular weight of 344.42 g/mol, XLogP of 2.29, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[2-[(1-ethylimidazol-2-yl)methyl-methylamino]-2-oxoethoxy]phenyl]propanamide is sourced from PubChem (CID 50982810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).