3-[2-[(2-methyl-1H-imidazol-5-yl)methylamino]phenoxy]propanamide

C14H18N4O2 — CID 62743092

IUPAC3-[2-[(2-methyl-1H-imidazol-5-yl)methylamino]phenoxy]propanamide
SMILESCc1ncc(CNc2ccccc2OCCC(N)=O)[nH]1
InChIInChI=1S/C14H18N4O2/c1-10-16-8-11(18-10)9-17-12-4-2-3-5-13(12)20-7-6-14(15)19/h2-5,8,17H,6-7,9H2,1H3,(H2,15,19)(H,16,18)
InChIKeyWFXFBFLTHZAHHL-UHFFFAOYSA-N
MW274.32 g/mol
LogP1.58
Rot. Bonds7

About 3-[2-[(2-methyl-1H-imidazol-5-yl)methylamino]phenoxy]propanamide

3-[2-[(2-methyl-1H-imidazol-5-yl)methylamino]phenoxy]propanamide (PubChem CID 62743092) has the molecular formula C14H18N4O2 and a molecular weight of 274.32 g/mol. Its IUPAC name is 3-[2-[(2-methyl-1H-imidazol-5-yl)methylamino]phenoxy]propanamide.

Molecular Properties

Compound Name3-[2-[(2-methyl-1H-imidazol-5-yl)methylamino]phenoxy]propanamide
PubChem CID62743092
Molecular FormulaC14H18N4O2
Molecular Weight274.32 g/mol
Exact Mass274.14
IUPAC Name3-[2-[(2-methyl-1H-imidazol-5-yl)methylamino]phenoxy]propanamide
SMILESCc1ncc(CNc2ccccc2OCCC(N)=O)[nH]1
InChIInChI=1S/C14H18N4O2/c1-10-16-8-11(18-10)9-17-12-4-2-3-5-13(12)20-7-6-14(15)19/h2-5,8,17H,6-7,9H2,1H3,(H2,15,19)(H,16,18)
InChIKeyWFXFBFLTHZAHHL-UHFFFAOYSA-N
XLogP1.58
TPSA93.03 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.32
LogP ≤ 51.58
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 3-[2-[(2-methyl-1H-imidazol-5-yl)methylamino]phenoxy]propanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-[2-[(3-methyltriazol-4-yl)methylamino]phenoxy]propanamide
CID 115744008
3-[2-[(4-fluorophenyl)methylamino]phenoxy]propanamide
CID 43729736
3-[2-(1H-pyrrol-3-ylmethylamino)phenoxy]propanamide
CID 66407426
3-[2-[(5-chloro-1,3-thiazol-2-yl)methylamino]phenoxy]propanamide
CID 104879474
3-[2-(ethylaminomethyl)phenoxy]propanamide
CID 43277204
N-[2-(3-amino-3-oxopropoxy)phenyl]-2-methylpropanamide
CID 47239947
3-[2-[(4-methylsulfinylphenyl)methylamino]phenoxy]propanamide
CID 75385127
N-[2-(3-amino-3-oxopropoxy)phenyl]-2-bromopropanamide
CID 114014367
N-[2-(3-amino-3-oxopropoxy)phenyl]-2-methoxy-2-methylpropanamide
CID 103028884
2-amino-N-[2-(3-amino-3-oxopropoxy)phenyl]-3-methylbutanamide
CID 43712567
2-[2-(3-amino-3-oxopropoxy)anilino]propanoic acid
CID 66173726
(2S,3S)-2-amino-N-[2-(3-amino-3-oxopropoxy)phenyl]-3-methylpentanamide
CID 61178634

Frequently Asked Questions

What is the IUPAC name of 3-[2-[(2-methyl-1H-imidazol-5-yl)methylamino]phenoxy]propanamide?
The IUPAC name of 3-[2-[(2-methyl-1H-imidazol-5-yl)methylamino]phenoxy]propanamide (CID 62743092) is 3-[2-[(2-methyl-1H-imidazol-5-yl)methylamino]phenoxy]propanamide.
What is the SMILES notation for 3-[2-[(2-methyl-1H-imidazol-5-yl)methylamino]phenoxy]propanamide?
The canonical SMILES for 3-[2-[(2-methyl-1H-imidazol-5-yl)methylamino]phenoxy]propanamide is Cc1ncc(CNc2ccccc2OCCC(N)=O)[nH]1.
What is the InChIKey of 3-[2-[(2-methyl-1H-imidazol-5-yl)methylamino]phenoxy]propanamide?
The InChIKey is WFXFBFLTHZAHHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4O2/c1-10-16-8-11(18-10)9-17-12-4-2-3-5-13(12)20-7-6-14(15)19/h2-5,8,17H,6-7,9H2,1H3,(H2,15,19)(H,16,18).
What are the key properties of 3-[2-[(2-methyl-1H-imidazol-5-yl)methylamino]phenoxy]propanamide?
3-[2-[(2-methyl-1H-imidazol-5-yl)methylamino]phenoxy]propanamide has a molecular weight of 274.32 g/mol, XLogP of 1.58, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[(2-methyl-1H-imidazol-5-yl)methylamino]phenoxy]propanamide is sourced from PubChem (CID 62743092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).