N-(3-amino-2-methylphenyl)-2-(2-ethylimidazol-1-yl)acetamide

C14H18N4O — CID 61402207

IUPACN-(3-amino-2-methylphenyl)-2-(2-ethylimidazol-1-yl)acetamide
SMILESCCc1nccn1CC(=O)Nc1cccc(N)c1C
InChIInChI=1S/C14H18N4O/c1-3-13-16-7-8-18(13)9-14(19)17-12-6-4-5-11(15)10(12)2/h4-8H,3,9,15H2,1-2H3,(H,17,19)
InChIKeyGIGGJYKSBBOWIJ-UHFFFAOYSA-N
MW258.32 g/mol
LogP1.97
Rot. Bonds4

About N-(3-amino-2-methylphenyl)-2-(2-ethylimidazol-1-yl)acetamide

N-(3-amino-2-methylphenyl)-2-(2-ethylimidazol-1-yl)acetamide (PubChem CID 61402207) has the molecular formula C14H18N4O and a molecular weight of 258.32 g/mol. Its IUPAC name is N-(3-amino-2-methylphenyl)-2-(2-ethylimidazol-1-yl)acetamide.

Molecular Properties

Compound NameN-(3-amino-2-methylphenyl)-2-(2-ethylimidazol-1-yl)acetamide
PubChem CID61402207
Molecular FormulaC14H18N4O
Molecular Weight258.32 g/mol
Exact Mass258.15
IUPAC NameN-(3-amino-2-methylphenyl)-2-(2-ethylimidazol-1-yl)acetamide
SMILESCCc1nccn1CC(=O)Nc1cccc(N)c1C
InChIInChI=1S/C14H18N4O/c1-3-13-16-7-8-18(13)9-14(19)17-12-6-4-5-11(15)10(12)2/h4-8H,3,9,15H2,1-2H3,(H,17,19)
InChIKeyGIGGJYKSBBOWIJ-UHFFFAOYSA-N
XLogP1.97
TPSA72.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.32
LogP ≤ 51.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-(2-ethylimidazol-1-yl)-N-(2-methylphenyl)acetamide
CID 63811305
N-(3-amino-2-methylphenyl)-2-(2-propan-2-ylimidazol-1-yl)acetamide
CID 43198911
N-(3-amino-2-methylphenyl)-2-indol-1-ylacetamide
CID 43247265
N-(3-amino-2-methylphenyl)-2-(6-oxopyridazin-1-yl)acetamide
CID 62851005
N-(3-amino-2-methylphenyl)-2-[methyl-[(1-methylimidazol-2-yl)methyl]amino]acetamide
CID 63015483
N-(3-amino-2-methylphenyl)-2-(4-oxo-1-pyridinyl)acetamide
CID 62880154
N-(4-bromo-2-fluorophenyl)-2-(2-ethylimidazol-1-yl)acetamide
CID 75433251
N-(3-amino-2-methylphenyl)-2-(1,3-dihydroisoindol-2-yl)acetamide
CID 62206392
N-(3-amino-2-methylphenyl)-2-indazol-1-ylacetamide
CID 62141857
N-(3-amino-2-methylphenyl)-2-(4,5-dimethyl-2-oxo-1,3-thiazol-3-yl)acetamide
CID 63312237
N-(3-amino-2-methylphenyl)-2-(4,6-diaminopyrimidin-2-yl)sulfanylacetamide
CID 61296037
N-(2-bromophenyl)-2-[2-(hydroxymethyl)imidazol-1-yl]acetamide
CID 62221758

Frequently Asked Questions

What is the IUPAC name of N-(3-amino-2-methylphenyl)-2-(2-ethylimidazol-1-yl)acetamide?
The IUPAC name of N-(3-amino-2-methylphenyl)-2-(2-ethylimidazol-1-yl)acetamide (CID 61402207) is N-(3-amino-2-methylphenyl)-2-(2-ethylimidazol-1-yl)acetamide.
What is the SMILES notation for N-(3-amino-2-methylphenyl)-2-(2-ethylimidazol-1-yl)acetamide?
The canonical SMILES for N-(3-amino-2-methylphenyl)-2-(2-ethylimidazol-1-yl)acetamide is CCc1nccn1CC(=O)Nc1cccc(N)c1C.
What is the InChIKey of N-(3-amino-2-methylphenyl)-2-(2-ethylimidazol-1-yl)acetamide?
The InChIKey is GIGGJYKSBBOWIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4O/c1-3-13-16-7-8-18(13)9-14(19)17-12-6-4-5-11(15)10(12)2/h4-8H,3,9,15H2,1-2H3,(H,17,19).
What are the key properties of N-(3-amino-2-methylphenyl)-2-(2-ethylimidazol-1-yl)acetamide?
N-(3-amino-2-methylphenyl)-2-(2-ethylimidazol-1-yl)acetamide has a molecular weight of 258.32 g/mol, XLogP of 1.97, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-amino-2-methylphenyl)-2-(2-ethylimidazol-1-yl)acetamide is sourced from PubChem (CID 61402207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).