N-(3-amino-2-methylphenyl)-2-(2-propan-2-ylimidazol-1-yl)acetamide

C15H20N4O — CID 43198911

IUPACN-(3-amino-2-methylphenyl)-2-(2-propan-2-ylimidazol-1-yl)acetamide
SMILESCc1c(N)cccc1NC(=O)Cn1ccnc1C(C)C
InChIInChI=1S/C15H20N4O/c1-10(2)15-17-7-8-19(15)9-14(20)18-13-6-4-5-12(16)11(13)3/h4-8,10H,9,16H2,1-3H3,(H,18,20)
InChIKeyLOVRTVXOAFWSGV-UHFFFAOYSA-N
MW272.35 g/mol
LogP2.54
Rot. Bonds4

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

N-(3-amino-2-methylphenyl)-2-(2-propan-2-ylimidazol-1-yl)acetamide (PubChem CID 43198911) has the molecular formula C15H20N4O and a molecular weight of 272.35 g/mol. Its IUPAC name is N-(3-amino-2-methylphenyl)-2-(2-propan-2-ylimidazol-1-yl)acetamide.

Molecular Properties

Compound NameN-(3-amino-2-methylphenyl)-2-(2-propan-2-ylimidazol-1-yl)acetamide
PubChem CID43198911
Molecular FormulaC15H20N4O
Molecular Weight272.35 g/mol
Exact Mass272.16
IUPAC NameN-(3-amino-2-methylphenyl)-2-(2-propan-2-ylimidazol-1-yl)acetamide
SMILESCc1c(N)cccc1NC(=O)Cn1ccnc1C(C)C
InChIInChI=1S/C15H20N4O/c1-10(2)15-17-7-8-19(15)9-14(20)18-13-6-4-5-12(16)11(13)3/h4-8,10H,9,16H2,1-3H3,(H,18,20)
InChIKeyLOVRTVXOAFWSGV-UHFFFAOYSA-N
XLogP2.54
TPSA72.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.35
LogP ≤ 52.54
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

N-(3-amino-2-methylphenyl)-2-(2-ethylimidazol-1-yl)acetamide
CID 61402207
N-(2-aminophenyl)-3-(2-propan-2-ylimidazol-1-yl)propanamide
CID 43198918
N-(5-amino-2-methoxyphenyl)-2-(2-propan-2-ylimidazol-1-yl)acetamide
CID 43198896
2-(2-propan-2-ylimidazol-1-yl)acetohydrazide
CID 63579371
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-(4-oxo-1-pyridinyl)acetamide
CID 62880154
N-(2-fluoro-5-methylsulfonylphenyl)-2-(2-propan-2-ylimidazol-1-yl)acetamide
CID 75500271
N-(3-amino-2-methylphenyl)-2-(2-methylimidazol-1-yl)propanamide
CID 16782472
N-(3-amino-2-methylphenyl)-2-(4-propan-2-ylpiperidin-1-yl)acetamide
CID 103505272
N-(3-amino-2-methylphenyl)-2-(1,3-dihydroisoindol-2-yl)acetamide
CID 62206392
2-[2-(1-hydroxyethyl)imidazol-1-yl]-N-phenylacetamide
CID 142479688

Frequently Asked Questions

What is the IUPAC name of N-(3-amino-2-methylphenyl)-2-(2-propan-2-ylimidazol-1-yl)acetamide?
The IUPAC name of N-(3-amino-2-methylphenyl)-2-(2-propan-2-ylimidazol-1-yl)acetamide (CID 43198911) is N-(3-amino-2-methylphenyl)-2-(2-propan-2-ylimidazol-1-yl)acetamide.
What is the SMILES notation for N-(3-amino-2-methylphenyl)-2-(2-propan-2-ylimidazol-1-yl)acetamide?
The canonical SMILES for N-(3-amino-2-methylphenyl)-2-(2-propan-2-ylimidazol-1-yl)acetamide is Cc1c(N)cccc1NC(=O)Cn1ccnc1C(C)C.
What is the InChIKey of N-(3-amino-2-methylphenyl)-2-(2-propan-2-ylimidazol-1-yl)acetamide?
The InChIKey is LOVRTVXOAFWSGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4O/c1-10(2)15-17-7-8-19(15)9-14(20)18-13-6-4-5-12(16)11(13)3/h4-8,10H,9,16H2,1-3H3,(H,18,20).
What are the key properties of N-(3-amino-2-methylphenyl)-2-(2-propan-2-ylimidazol-1-yl)acetamide?
N-(3-amino-2-methylphenyl)-2-(2-propan-2-ylimidazol-1-yl)acetamide has a molecular weight of 272.35 g/mol, XLogP of 2.54, 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-propan-2-ylimidazol-1-yl)acetamide is sourced from PubChem (CID 43198911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).