3-(2-ethylphenoxy)-N-[(2S)-1-imidazol-1-ylbutan-2-yl]azetidine-1-carboxamide

C19H26N4O2 — CID 126436612

IUPAC3-(2-ethylphenoxy)-N-[(2S)-1-imidazol-1-ylbutan-2-yl]azetidine-1-carboxamide
SMILESCCc1ccccc1OC1CN(C(=O)N[C@@H](CC)Cn2ccnc2)C1
InChIInChI=1S/C19H26N4O2/c1-3-15-7-5-6-8-18(15)25-17-12-23(13-17)19(24)21-16(4-2)11-22-10-9-20-14-22/h5-10,14,16-17H,3-4,11-13H2,1-2H3,(H,21,24)/t16-/m0/s1
InChIKeyCCUVKWCYULNKCQ-INIZCTEOSA-N
MW342.44 g/mol
LogP2.70
Rot. Bonds7

About 3-(2-ethylphenoxy)-N-[(2S)-1-imidazol-1-ylbutan-2-yl]azetidine-1-carboxamide

3-(2-ethylphenoxy)-N-[(2S)-1-imidazol-1-ylbutan-2-yl]azetidine-1-carboxamide (PubChem CID 126436612) has the molecular formula C19H26N4O2 and a molecular weight of 342.44 g/mol. Its IUPAC name is 3-(2-ethylphenoxy)-N-[(2S)-1-imidazol-1-ylbutan-2-yl]azetidine-1-carboxamide.

Molecular Properties

Compound Name3-(2-ethylphenoxy)-N-[(2S)-1-imidazol-1-ylbutan-2-yl]azetidine-1-carboxamide
PubChem CID126436612
Molecular FormulaC19H26N4O2
Molecular Weight342.44 g/mol
Exact Mass342.21
IUPAC Name3-(2-ethylphenoxy)-N-[(2S)-1-imidazol-1-ylbutan-2-yl]azetidine-1-carboxamide
SMILESCCc1ccccc1OC1CN(C(=O)N[C@@H](CC)Cn2ccnc2)C1
InChIInChI=1S/C19H26N4O2/c1-3-15-7-5-6-8-18(15)25-17-12-23(13-17)19(24)21-16(4-2)11-22-10-9-20-14-22/h5-10,14,16-17H,3-4,11-13H2,1-2H3,(H,21,24)/t16-/m0/s1
InChIKeyCCUVKWCYULNKCQ-INIZCTEOSA-N
XLogP2.70
TPSA59.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.44
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(2S)-1-imidazol-1-ylbutan-2-yl]azocane-1-carboxamide
CID 126446563
N-(1-imidazol-1-ylbutan-2-yl)-2,3-dihydro-1H-indene-2-carboxamide
CID 119060884
3-(2-fluorophenoxy)-N-[(2R)-1-methoxybutan-2-yl]azetidine-1-carboxamide
CID 126441973
1-[3-(2-ethylphenoxy)azetidin-1-yl]-2-pyrazol-1-ylbutan-1-one
CID 70723771
1-(2-cyclopentyloxyphenyl)-3-[(2S)-1-imidazol-1-ylpropan-2-yl]urea
CID 95313090
1-[(2R)-1-imidazol-1-ylbutan-2-yl]-3-(6-methoxy-1,3-benzodioxol-5-yl)urea
CID 97446086
2-fluoro-N-(1-imidazol-1-ylbutan-2-yl)-6-methoxybenzamide
CID 91778772
1-(5-fluoro-2-methylphenyl)-3-(1-imidazol-1-ylbutan-2-yl)urea
CID 118790076
2-cyclobutyloxy-N-[(2S)-1-imidazol-1-ylpropan-2-yl]benzamide
CID 97088063
2-[(2-chlorophenyl)methylsulfanyl]-N-(1-imidazol-1-ylbutan-2-yl)acetamide
CID 46988632
2-cyclobutyloxy-N-(1-imidazol-1-ylpropan-2-yl)benzamide
CID 71875442
(2R)-1-[3-(2-ethylphenoxy)azetidin-1-yl]-2-methylsulfanylpropan-1-one
CID 97126152

Frequently Asked Questions

What is the IUPAC name of 3-(2-ethylphenoxy)-N-[(2S)-1-imidazol-1-ylbutan-2-yl]azetidine-1-carboxamide?
The IUPAC name of 3-(2-ethylphenoxy)-N-[(2S)-1-imidazol-1-ylbutan-2-yl]azetidine-1-carboxamide (CID 126436612) is 3-(2-ethylphenoxy)-N-[(2S)-1-imidazol-1-ylbutan-2-yl]azetidine-1-carboxamide.
What is the SMILES notation for 3-(2-ethylphenoxy)-N-[(2S)-1-imidazol-1-ylbutan-2-yl]azetidine-1-carboxamide?
The canonical SMILES for 3-(2-ethylphenoxy)-N-[(2S)-1-imidazol-1-ylbutan-2-yl]azetidine-1-carboxamide is CCc1ccccc1OC1CN(C(=O)N[C@@H](CC)Cn2ccnc2)C1.
What is the InChIKey of 3-(2-ethylphenoxy)-N-[(2S)-1-imidazol-1-ylbutan-2-yl]azetidine-1-carboxamide?
The InChIKey is CCUVKWCYULNKCQ-INIZCTEOSA-N. The full InChI is InChI=1S/C19H26N4O2/c1-3-15-7-5-6-8-18(15)25-17-12-23(13-17)19(24)21-16(4-2)11-22-10-9-20-14-22/h5-10,14,16-17H,3-4,11-13H2,1-2H3,(H,21,24)/t16-/m0/s1.
What are the key properties of 3-(2-ethylphenoxy)-N-[(2S)-1-imidazol-1-ylbutan-2-yl]azetidine-1-carboxamide?
3-(2-ethylphenoxy)-N-[(2S)-1-imidazol-1-ylbutan-2-yl]azetidine-1-carboxamide has a molecular weight of 342.44 g/mol, XLogP of 2.70, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-ethylphenoxy)-N-[(2S)-1-imidazol-1-ylbutan-2-yl]azetidine-1-carboxamide is sourced from PubChem (CID 126436612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).