2-(4-aminophenoxy)-N-(1H-imidazol-2-ylmethyl)-N-methylacetamide

C13H16N4O2 — CID 64512909

IUPAC2-(4-aminophenoxy)-N-(1H-imidazol-2-ylmethyl)-N-methylacetamide
SMILESCN(Cc1ncc[nH]1)C(=O)COc1ccc(N)cc1
InChIInChI=1S/C13H16N4O2/c1-17(8-12-15-6-7-16-12)13(18)9-19-11-4-2-10(14)3-5-11/h2-7H,8-9,14H2,1H3,(H,15,16)
InChIKeyPSMGTGWAJKFRKZ-UHFFFAOYSA-N
MW260.30 g/mol
LogP1.03
Rot. Bonds5

About 2-(4-aminophenoxy)-N-(1H-imidazol-2-ylmethyl)-N-methylacetamide

2-(4-aminophenoxy)-N-(1H-imidazol-2-ylmethyl)-N-methylacetamide (PubChem CID 64512909) has the molecular formula C13H16N4O2 and a molecular weight of 260.30 g/mol. Its IUPAC name is 2-(4-aminophenoxy)-N-(1H-imidazol-2-ylmethyl)-N-methylacetamide.

Molecular Properties

Compound Name2-(4-aminophenoxy)-N-(1H-imidazol-2-ylmethyl)-N-methylacetamide
PubChem CID64512909
Molecular FormulaC13H16N4O2
Molecular Weight260.30 g/mol
Exact Mass260.13
IUPAC Name2-(4-aminophenoxy)-N-(1H-imidazol-2-ylmethyl)-N-methylacetamide
SMILESCN(Cc1ncc[nH]1)C(=O)COc1ccc(N)cc1
InChIInChI=1S/C13H16N4O2/c1-17(8-12-15-6-7-16-12)13(18)9-19-11-4-2-10(14)3-5-11/h2-7H,8-9,14H2,1H3,(H,15,16)
InChIKeyPSMGTGWAJKFRKZ-UHFFFAOYSA-N
XLogP1.03
TPSA84.24 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.30
LogP ≤ 51.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

2-(4-aminophenoxy)-N-(2-methoxyethyl)-N-methylacetamide
CID 61126914
2-(4-aminophenoxy)-N-[(4-fluorophenyl)methyl]-N-methylacetamide
CID 10085503
N-(1H-imidazol-2-ylmethyl)-N-methyl-2-(3-nitrophenoxy)acetamide
CID 63929130
2-(2,4-dibromophenoxy)-N-(1H-imidazol-2-ylmethyl)-N-methylacetamide
CID 63940996
2-chloro-N-(1H-imidazol-2-ylmethyl)-N-methylacetamide
CID 64511880
2-(4-aminophenoxy)-N-methyl-N-[(2-methylphenyl)methyl]acetamide
CID 61028416
phenyl N-(1H-imidazol-2-ylmethyl)-N-methylcarbamate
CID 63939472
N-(1H-imidazol-2-ylmethyl)-N-methyl-4-(2-methylpropoxy)benzamide
CID 63940992
2-cyclopropyl-N-(1H-imidazol-2-ylmethyl)-N-methylacetamide
CID 63940618
N-(1H-imidazol-2-ylmethyl)-N-methyl-2-naphthalen-2-ylacetamide
CID 63929126
N-(1H-imidazol-2-ylmethyl)-N-methylheptanamide
CID 63940803
2-tert-butylsulfanyl-N-(1H-imidazol-2-ylmethyl)-N-methylacetamide
CID 63939272

Frequently Asked Questions

What is the IUPAC name of 2-(4-aminophenoxy)-N-(1H-imidazol-2-ylmethyl)-N-methylacetamide?
The IUPAC name of 2-(4-aminophenoxy)-N-(1H-imidazol-2-ylmethyl)-N-methylacetamide (CID 64512909) is 2-(4-aminophenoxy)-N-(1H-imidazol-2-ylmethyl)-N-methylacetamide.
What is the SMILES notation for 2-(4-aminophenoxy)-N-(1H-imidazol-2-ylmethyl)-N-methylacetamide?
The canonical SMILES for 2-(4-aminophenoxy)-N-(1H-imidazol-2-ylmethyl)-N-methylacetamide is CN(Cc1ncc[nH]1)C(=O)COc1ccc(N)cc1.
What is the InChIKey of 2-(4-aminophenoxy)-N-(1H-imidazol-2-ylmethyl)-N-methylacetamide?
The InChIKey is PSMGTGWAJKFRKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N4O2/c1-17(8-12-15-6-7-16-12)13(18)9-19-11-4-2-10(14)3-5-11/h2-7H,8-9,14H2,1H3,(H,15,16).
What are the key properties of 2-(4-aminophenoxy)-N-(1H-imidazol-2-ylmethyl)-N-methylacetamide?
2-(4-aminophenoxy)-N-(1H-imidazol-2-ylmethyl)-N-methylacetamide has a molecular weight of 260.30 g/mol, XLogP of 1.03, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-aminophenoxy)-N-(1H-imidazol-2-ylmethyl)-N-methylacetamide is sourced from PubChem (CID 64512909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).