2-[2-(3-ethoxycyclobutyl)ethylamino]-N-(5-methyl-1,2-oxazol-3-yl)-2-phenylacetamide

C20H27N3O3 — CID 166220521

IUPAC2-[2-(3-ethoxycyclobutyl)ethylamino]-N-(5-methyl-1,2-oxazol-3-yl)-2-phenylacetamide
SMILESCCOC1CC(CCNC(C(=O)Nc2cc(C)on2)c2ccccc2)C1
InChIInChI=1S/C20H27N3O3/c1-3-25-17-12-15(13-17)9-10-21-19(16-7-5-4-6-8-16)20(24)22-18-11-14(2)26-23-18/h4-8,11,15,17,19,21H,3,9-10,12-13H2,1-2H3,(H,22,23,24)
InChIKeyBHECMCAKTZPAGX-UHFFFAOYSA-N
MW357.45 g/mol
LogP3.46
Rot. Bonds9

About 2-[2-(3-ethoxycyclobutyl)ethylamino]-N-(5-methyl-1,2-oxazol-3-yl)-2-phenylacetamide

2-[2-(3-ethoxycyclobutyl)ethylamino]-N-(5-methyl-1,2-oxazol-3-yl)-2-phenylacetamide (PubChem CID 166220521) has the molecular formula C20H27N3O3 and a molecular weight of 357.45 g/mol. Its IUPAC name is 2-[2-(3-ethoxycyclobutyl)ethylamino]-N-(5-methyl-1,2-oxazol-3-yl)-2-phenylacetamide.

Molecular Properties

Compound Name2-[2-(3-ethoxycyclobutyl)ethylamino]-N-(5-methyl-1,2-oxazol-3-yl)-2-phenylacetamide
PubChem CID166220521
Molecular FormulaC20H27N3O3
Molecular Weight357.45 g/mol
Exact Mass357.21
IUPAC Name2-[2-(3-ethoxycyclobutyl)ethylamino]-N-(5-methyl-1,2-oxazol-3-yl)-2-phenylacetamide
SMILESCCOC1CC(CCNC(C(=O)Nc2cc(C)on2)c2ccccc2)C1
InChIInChI=1S/C20H27N3O3/c1-3-25-17-12-15(13-17)9-10-21-19(16-7-5-4-6-8-16)20(24)22-18-11-14(2)26-23-18/h4-8,11,15,17,19,21H,3,9-10,12-13H2,1-2H3,(H,22,23,24)
InChIKeyBHECMCAKTZPAGX-UHFFFAOYSA-N
XLogP3.46
TPSA76.39 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.45
LogP ≤ 53.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[[(3R,4S)-4-ethoxyoxolan-3-yl]amino]-N-(5-methyl-1,2-oxazol-3-yl)-2-phenylacetamide
CID 166235707
2-[2-(4-fluorophenyl)ethylamino]-N-(5-methyl-1,2-oxazol-3-yl)-2-phenylacetamide
CID 86913137
N-(5-methyl-1,2-oxazol-3-yl)-2-[[2-oxo-2-(2-phenylethylamino)ethyl]amino]-2-phenylacetamide
CID 86870242
2-(4-ethylanilino)-N-(5-methyl-1,2-oxazol-3-yl)-2-phenylacetamide
CID 17488545
(2S)-2-[(4-methylcyclohexyl)amino]-N-(5-methyl-1,2-oxazol-3-yl)-2-phenylacetamide
CID 35786341
2-[(5-methyl-1,2-oxazol-3-yl)carbamoylamino]-N,2-diphenylacetamide
CID 55910045
(2S)-2-(4-methoxyanilino)-N-(5-methyl-1,2-oxazol-3-yl)-2-phenylacetamide
CID 40792652
2-(4-ethoxy-3-methoxyanilino)-N-(5-methyl-1,2-oxazol-3-yl)-2-phenylacetamide
CID 17491956
2-[[(3S,4R)-3-methoxyoxan-4-yl]amino]-N-(5-methyl-1,2-oxazol-3-yl)-2-phenylacetamide
CID 166276773
(2S)-2-(1,3-benzodioxol-5-ylamino)-N-(5-methyl-1,2-oxazol-3-yl)-2-phenylacetamide
CID 40791076
(2S)-N-(5-methyl-1,2-oxazol-3-yl)-2-phenyl-2-pyrrol-1-ylacetamide
CID 52907271
2-[(1-cyclopropyl-2-oxopiperidin-3-yl)amino]-N-(5-methyl-1,2-oxazol-3-yl)-2-phenylacetamide
CID 167946019

Frequently Asked Questions

What is the IUPAC name of 2-[2-(3-ethoxycyclobutyl)ethylamino]-N-(5-methyl-1,2-oxazol-3-yl)-2-phenylacetamide?
The IUPAC name of 2-[2-(3-ethoxycyclobutyl)ethylamino]-N-(5-methyl-1,2-oxazol-3-yl)-2-phenylacetamide (CID 166220521) is 2-[2-(3-ethoxycyclobutyl)ethylamino]-N-(5-methyl-1,2-oxazol-3-yl)-2-phenylacetamide.
What is the SMILES notation for 2-[2-(3-ethoxycyclobutyl)ethylamino]-N-(5-methyl-1,2-oxazol-3-yl)-2-phenylacetamide?
The canonical SMILES for 2-[2-(3-ethoxycyclobutyl)ethylamino]-N-(5-methyl-1,2-oxazol-3-yl)-2-phenylacetamide is CCOC1CC(CCNC(C(=O)Nc2cc(C)on2)c2ccccc2)C1.
What is the InChIKey of 2-[2-(3-ethoxycyclobutyl)ethylamino]-N-(5-methyl-1,2-oxazol-3-yl)-2-phenylacetamide?
The InChIKey is BHECMCAKTZPAGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N3O3/c1-3-25-17-12-15(13-17)9-10-21-19(16-7-5-4-6-8-16)20(24)22-18-11-14(2)26-23-18/h4-8,11,15,17,19,21H,3,9-10,12-13H2,1-2H3,(H,22,23,24).
What are the key properties of 2-[2-(3-ethoxycyclobutyl)ethylamino]-N-(5-methyl-1,2-oxazol-3-yl)-2-phenylacetamide?
2-[2-(3-ethoxycyclobutyl)ethylamino]-N-(5-methyl-1,2-oxazol-3-yl)-2-phenylacetamide has a molecular weight of 357.45 g/mol, XLogP of 3.46, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(3-ethoxycyclobutyl)ethylamino]-N-(5-methyl-1,2-oxazol-3-yl)-2-phenylacetamide is sourced from PubChem (CID 166220521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).