N-(1H-imidazol-2-yl)-4-(2-methylphenoxy)butanamide

C14H17N3O2 — CID 60968243

IUPACN-(1H-imidazol-2-yl)-4-(2-methylphenoxy)butanamide
SMILESCc1ccccc1OCCCC(=O)Nc1ncc[nH]1
InChIInChI=1S/C14H17N3O2/c1-11-5-2-3-6-12(11)19-10-4-7-13(18)17-14-15-8-9-16-14/h2-3,5-6,8-9H,4,7,10H2,1H3,(H2,15,16,17,18)
InChIKeyROSYRGKYCWSOLM-UHFFFAOYSA-N
MW259.31 g/mol
LogP2.52
Rot. Bonds6

About N-(1H-imidazol-2-yl)-4-(2-methylphenoxy)butanamide

N-(1H-imidazol-2-yl)-4-(2-methylphenoxy)butanamide (PubChem CID 60968243) has the molecular formula C14H17N3O2 and a molecular weight of 259.31 g/mol. Its IUPAC name is N-(1H-imidazol-2-yl)-4-(2-methylphenoxy)butanamide.

Molecular Properties

Compound NameN-(1H-imidazol-2-yl)-4-(2-methylphenoxy)butanamide
PubChem CID60968243
Molecular FormulaC14H17N3O2
Molecular Weight259.31 g/mol
Exact Mass259.13
IUPAC NameN-(1H-imidazol-2-yl)-4-(2-methylphenoxy)butanamide
SMILESCc1ccccc1OCCCC(=O)Nc1ncc[nH]1
InChIInChI=1S/C14H17N3O2/c1-11-5-2-3-6-12(11)19-10-4-7-13(18)17-14-15-8-9-16-14/h2-3,5-6,8-9H,4,7,10H2,1H3,(H2,15,16,17,18)
InChIKeyROSYRGKYCWSOLM-UHFFFAOYSA-N
XLogP2.52
TPSA67.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.31
LogP ≤ 52.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-(2-methylphenoxy)-N-(2-methylphenyl)butanamide
CID 19173284
4-(2-methylphenoxy)-N-(2-pyrazol-1-yl-3-pyridinyl)butanamide
CID 30887020
2-(2-hydroxyphenoxy)-N-(1H-imidazol-2-yl)acetamide
CID 63563880
N-(2-ethyl-6-methylphenyl)-4-(2-methylphenoxy)butanamide
CID 19173293
5-bromo-N-(1H-imidazol-2-yl)pentanamide
CID 107910080
4-(2-methylphenoxy)-N-(pyridin-2-ylmethyl)butanamide
CID 127115863
3-(2-methylphenoxy)-N-(1H-pyrazol-5-yl)propanamide
CID 61393959
N-(5-amino-2-methylphenyl)-4-(2-methylphenoxy)butanamide
CID 16793907
N-[2-[4-(2-methylphenoxy)butanoylamino]phenyl]pyridine-3-carboxamide
CID 108925317
N-(2-butan-2-ylpyrazol-3-yl)-4-(2-methylphenoxy)butanamide
CID 134022419
5-amino-N-(1H-imidazol-2-yl)hexanamide
CID 82852623
4-(2-methylphenoxy)-N-(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)butanamide
CID 19218704

Frequently Asked Questions

What is the IUPAC name of N-(1H-imidazol-2-yl)-4-(2-methylphenoxy)butanamide?
The IUPAC name of N-(1H-imidazol-2-yl)-4-(2-methylphenoxy)butanamide (CID 60968243) is N-(1H-imidazol-2-yl)-4-(2-methylphenoxy)butanamide.
What is the SMILES notation for N-(1H-imidazol-2-yl)-4-(2-methylphenoxy)butanamide?
The canonical SMILES for N-(1H-imidazol-2-yl)-4-(2-methylphenoxy)butanamide is Cc1ccccc1OCCCC(=O)Nc1ncc[nH]1.
What is the InChIKey of N-(1H-imidazol-2-yl)-4-(2-methylphenoxy)butanamide?
The InChIKey is ROSYRGKYCWSOLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O2/c1-11-5-2-3-6-12(11)19-10-4-7-13(18)17-14-15-8-9-16-14/h2-3,5-6,8-9H,4,7,10H2,1H3,(H2,15,16,17,18).
What are the key properties of N-(1H-imidazol-2-yl)-4-(2-methylphenoxy)butanamide?
N-(1H-imidazol-2-yl)-4-(2-methylphenoxy)butanamide has a molecular weight of 259.31 g/mol, XLogP of 2.52, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1H-imidazol-2-yl)-4-(2-methylphenoxy)butanamide is sourced from PubChem (CID 60968243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).