4-ethoxy-N-[1-[4-(4-methyl-2-oxo-1H-imidazol-3-yl)phenyl]ethyl]butanamide

C18H25N3O3 — CID 71880877

IUPAC4-ethoxy-N-[1-[4-(4-methyl-2-oxo-1H-imidazol-3-yl)phenyl]ethyl]butanamide
SMILESCCOCCCC(=O)NC(C)c1ccc(-n2c(C)c[nH]c2=O)cc1
InChIInChI=1S/C18H25N3O3/c1-4-24-11-5-6-17(22)20-14(3)15-7-9-16(10-8-15)21-13(2)12-19-18(21)23/h7-10,12,14H,4-6,11H2,1-3H3,(H,19,23)(H,20,22)
InChIKeyKPLIMKMUZZUZMB-UHFFFAOYSA-N
MW331.42 g/mol
LogP2.47
Rot. Bonds8

About 4-ethoxy-N-[1-[4-(4-methyl-2-oxo-1H-imidazol-3-yl)phenyl]ethyl]butanamide

4-ethoxy-N-[1-[4-(4-methyl-2-oxo-1H-imidazol-3-yl)phenyl]ethyl]butanamide (PubChem CID 71880877) has the molecular formula C18H25N3O3 and a molecular weight of 331.42 g/mol. Its IUPAC name is 4-ethoxy-N-[1-[4-(4-methyl-2-oxo-1H-imidazol-3-yl)phenyl]ethyl]butanamide.

Molecular Properties

Compound Name4-ethoxy-N-[1-[4-(4-methyl-2-oxo-1H-imidazol-3-yl)phenyl]ethyl]butanamide
PubChem CID71880877
Molecular FormulaC18H25N3O3
Molecular Weight331.42 g/mol
Exact Mass331.19
IUPAC Name4-ethoxy-N-[1-[4-(4-methyl-2-oxo-1H-imidazol-3-yl)phenyl]ethyl]butanamide
SMILESCCOCCCC(=O)NC(C)c1ccc(-n2c(C)c[nH]c2=O)cc1
InChIInChI=1S/C18H25N3O3/c1-4-24-11-5-6-17(22)20-14(3)15-7-9-16(10-8-15)21-13(2)12-19-18(21)23/h7-10,12,14H,4-6,11H2,1-3H3,(H,19,23)(H,20,22)
InChIKeyKPLIMKMUZZUZMB-UHFFFAOYSA-N
XLogP2.47
TPSA76.12 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.42
LogP ≤ 52.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3-ethoxy-N-[(1R)-1-(4-pyrazol-1-ylphenyl)ethyl]propanamide
CID 95990109
N-[1-[4-(4-methyl-2-oxo-1H-imidazol-3-yl)phenyl]ethyl]-3-pyridin-4-ylprop-2-enamide
CID 71880850
4-methyl-3-[4-[2-(methylamino)acetyl]phenyl]-1H-imidazol-2-one
CID 117365072
N-[(1R)-1-(4-fluorophenyl)ethyl]-4-phenoxybutanamide
CID 94330096
4-phenoxy-N-[(1R)-1-[4-(triazol-1-yl)phenyl]ethyl]butanamide
CID 97088570
4-methoxy-N-[1-[4-(2-methylpropyl)phenyl]ethyl]butanamide
CID 86997778
4-amino-N-[1-[4-(3,5-dimethylpyrazol-1-yl)phenyl]ethyl]butanamide
CID 119894668
N-[(1R)-1-(4-ethylphenyl)ethyl]-4-phenoxybutanamide
CID 100521099
5-hydroxy-N-[(1R)-1-(4-methylphenyl)ethyl]pentanamide
CID 81356317
N-[(1R)-1-(4-fluorophenyl)ethyl]-4-hydroxybutanamide
CID 81349027
5-hydroxy-N-[(1S)-1-(4-methylphenyl)ethyl]pentanamide
CID 81355860
N-[(1S)-1-(4-methoxyphenyl)ethyl]-4-(methylamino)butanamide
CID 81364091

Frequently Asked Questions

What is the IUPAC name of 4-ethoxy-N-[1-[4-(4-methyl-2-oxo-1H-imidazol-3-yl)phenyl]ethyl]butanamide?
The IUPAC name of 4-ethoxy-N-[1-[4-(4-methyl-2-oxo-1H-imidazol-3-yl)phenyl]ethyl]butanamide (CID 71880877) is 4-ethoxy-N-[1-[4-(4-methyl-2-oxo-1H-imidazol-3-yl)phenyl]ethyl]butanamide.
What is the SMILES notation for 4-ethoxy-N-[1-[4-(4-methyl-2-oxo-1H-imidazol-3-yl)phenyl]ethyl]butanamide?
The canonical SMILES for 4-ethoxy-N-[1-[4-(4-methyl-2-oxo-1H-imidazol-3-yl)phenyl]ethyl]butanamide is CCOCCCC(=O)NC(C)c1ccc(-n2c(C)c[nH]c2=O)cc1.
What is the InChIKey of 4-ethoxy-N-[1-[4-(4-methyl-2-oxo-1H-imidazol-3-yl)phenyl]ethyl]butanamide?
The InChIKey is KPLIMKMUZZUZMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N3O3/c1-4-24-11-5-6-17(22)20-14(3)15-7-9-16(10-8-15)21-13(2)12-19-18(21)23/h7-10,12,14H,4-6,11H2,1-3H3,(H,19,23)(H,20,22).
What are the key properties of 4-ethoxy-N-[1-[4-(4-methyl-2-oxo-1H-imidazol-3-yl)phenyl]ethyl]butanamide?
4-ethoxy-N-[1-[4-(4-methyl-2-oxo-1H-imidazol-3-yl)phenyl]ethyl]butanamide has a molecular weight of 331.42 g/mol, XLogP of 2.47, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethoxy-N-[1-[4-(4-methyl-2-oxo-1H-imidazol-3-yl)phenyl]ethyl]butanamide is sourced from PubChem (CID 71880877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).