N-[2-(4-aminophenoxy)ethyl]-3-imidazol-1-ylpropanamide

C14H18N4O2 — CID 63237758

IUPACN-[2-(4-aminophenoxy)ethyl]-3-imidazol-1-ylpropanamide
SMILESNc1ccc(OCCNC(=O)CCn2ccnc2)cc1
InChIInChI=1S/C14H18N4O2/c15-12-1-3-13(4-2-12)20-10-7-17-14(19)5-8-18-9-6-16-11-18/h1-4,6,9,11H,5,7-8,10,15H2,(H,17,19)
InChIKeyDEVGIUSWPXIZMO-UHFFFAOYSA-N
MW274.32 g/mol
LogP1.05
Rot. Bonds7

About N-[2-(4-aminophenoxy)ethyl]-3-imidazol-1-ylpropanamide

N-[2-(4-aminophenoxy)ethyl]-3-imidazol-1-ylpropanamide (PubChem CID 63237758) has the molecular formula C14H18N4O2 and a molecular weight of 274.32 g/mol. Its IUPAC name is N-[2-(4-aminophenoxy)ethyl]-3-imidazol-1-ylpropanamide.

Molecular Properties

Compound NameN-[2-(4-aminophenoxy)ethyl]-3-imidazol-1-ylpropanamide
PubChem CID63237758
Molecular FormulaC14H18N4O2
Molecular Weight274.32 g/mol
Exact Mass274.14
IUPAC NameN-[2-(4-aminophenoxy)ethyl]-3-imidazol-1-ylpropanamide
SMILESNc1ccc(OCCNC(=O)CCn2ccnc2)cc1
InChIInChI=1S/C14H18N4O2/c15-12-1-3-13(4-2-12)20-10-7-17-14(19)5-8-18-9-6-16-11-18/h1-4,6,9,11H,5,7-8,10,15H2,(H,17,19)
InChIKeyDEVGIUSWPXIZMO-UHFFFAOYSA-N
XLogP1.05
TPSA82.17 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.32
LogP ≤ 51.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-(3-imidazol-1-ylpropyl)-4-(4-methylphenoxy)butanamide
CID 21367237
3-(4-aminophenoxy)-N-(2-propan-2-yloxyethyl)propanamide
CID 104758179
1-(4-aminophenoxy)-3-imidazol-1-ylpropan-2-ol;oxalic acid
CID 46735935
(2R)-1-(4-aminophenoxy)-3-imidazol-1-ylpropan-2-ol
CID 7449350
N-[2-(4-aminophenoxy)ethyl]-3-(4-methylphenyl)propanamide
CID 84816880
4-(2-bromophenoxy)-N-(2-imidazol-1-ylethyl)butanamide
CID 47040734
N-[2-(4-aminophenoxy)ethyl]-3,3-dimethylbutanamide
CID 54915240
N-[2-(4-aminophenoxy)ethyl]-3,3,3-trifluoropropanamide
CID 54915197
3-(2-aminophenyl)-N-(3-imidazol-1-ylpropyl)propanamide
CID 43309055
N-(2-aminopropyl)-3-imidazol-1-ylpropanamide
CID 63733352
2-[4-(2-imidazol-1-ylethoxy)phenyl]ethanamine
CID 43253780
N-(4-hydroxypentyl)-3-imidazol-1-ylpropanamide
CID 107299783

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-aminophenoxy)ethyl]-3-imidazol-1-ylpropanamide?
The IUPAC name of N-[2-(4-aminophenoxy)ethyl]-3-imidazol-1-ylpropanamide (CID 63237758) is N-[2-(4-aminophenoxy)ethyl]-3-imidazol-1-ylpropanamide.
What is the SMILES notation for N-[2-(4-aminophenoxy)ethyl]-3-imidazol-1-ylpropanamide?
The canonical SMILES for N-[2-(4-aminophenoxy)ethyl]-3-imidazol-1-ylpropanamide is Nc1ccc(OCCNC(=O)CCn2ccnc2)cc1.
What is the InChIKey of N-[2-(4-aminophenoxy)ethyl]-3-imidazol-1-ylpropanamide?
The InChIKey is DEVGIUSWPXIZMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4O2/c15-12-1-3-13(4-2-12)20-10-7-17-14(19)5-8-18-9-6-16-11-18/h1-4,6,9,11H,5,7-8,10,15H2,(H,17,19).
What are the key properties of N-[2-(4-aminophenoxy)ethyl]-3-imidazol-1-ylpropanamide?
N-[2-(4-aminophenoxy)ethyl]-3-imidazol-1-ylpropanamide has a molecular weight of 274.32 g/mol, XLogP of 1.05, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-aminophenoxy)ethyl]-3-imidazol-1-ylpropanamide is sourced from PubChem (CID 63237758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).