4-(oxetan-3-yloxy)-2-phenyl-2-(propan-2-ylamino)butanamide

C16H24N2O3 — CID 102607453

IUPAC4-(oxetan-3-yloxy)-2-phenyl-2-(propan-2-ylamino)butanamide
SMILESCC(C)NC(CCOC1COC1)(C(N)=O)c1ccccc1
InChIInChI=1S/C16H24N2O3/c1-12(2)18-16(15(17)19,13-6-4-3-5-7-13)8-9-21-14-10-20-11-14/h3-7,12,14,18H,8-11H2,1-2H3,(H2,17,19)
InChIKeyTWJRHBIKUDEIOC-UHFFFAOYSA-N
MW292.38 g/mol
LogP1.17
Rot. Bonds8

About 4-(oxetan-3-yloxy)-2-phenyl-2-(propan-2-ylamino)butanamide

4-(oxetan-3-yloxy)-2-phenyl-2-(propan-2-ylamino)butanamide (PubChem CID 102607453) has the molecular formula C16H24N2O3 and a molecular weight of 292.38 g/mol. Its IUPAC name is 4-(oxetan-3-yloxy)-2-phenyl-2-(propan-2-ylamino)butanamide.

Molecular Properties

Compound Name4-(oxetan-3-yloxy)-2-phenyl-2-(propan-2-ylamino)butanamide
PubChem CID102607453
Molecular FormulaC16H24N2O3
Molecular Weight292.38 g/mol
Exact Mass292.18
IUPAC Name4-(oxetan-3-yloxy)-2-phenyl-2-(propan-2-ylamino)butanamide
SMILESCC(C)NC(CCOC1COC1)(C(N)=O)c1ccccc1
InChIInChI=1S/C16H24N2O3/c1-12(2)18-16(15(17)19,13-6-4-3-5-7-13)8-9-21-14-10-20-11-14/h3-7,12,14,18H,8-11H2,1-2H3,(H2,17,19)
InChIKeyTWJRHBIKUDEIOC-UHFFFAOYSA-N
XLogP1.17
TPSA73.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.38
LogP ≤ 51.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 2-(ethylamino)-4-(oxetan-3-yloxy)-2-phenylbutanoate
CID 102607628
2,3-diphenyl-2-(propan-2-ylamino)propanamide
CID 60787356
4-butan-2-ylsulfanyl-2-phenyl-2-(propan-2-ylamino)butanamide
CID 116694539
methyl 4-methoxy-2-phenyl-2-(propan-2-ylamino)butanoate
CID 116694272
4-cyclopentyloxy-2-(ethylamino)-2-phenylbutanoic acid
CID 116694243
3-(oxetan-3-yloxy)-2-phenyl-2-(propylamino)propanoic acid
CID 102607406
2-(cyclopropylmethylamino)-2-phenylpentanamide
CID 54890154
4-cyclopentyloxy-2-phenyl-2-(propan-2-ylamino)butan-1-ol
CID 116694241
methyl 2-phenyl-2-(propan-2-ylamino)butanoate
CID 60786838
2-(4-methylphenyl)-2-(propan-2-ylamino)butanamide
CID 60787687
methyl 2-methyl-6-(oxetan-3-yloxy)-2-(propan-2-ylamino)hexanoate
CID 102607425
2-(cyclopropylamino)-2-phenyl-4-propoxybutanamide
CID 116694311

Frequently Asked Questions

What is the IUPAC name of 4-(oxetan-3-yloxy)-2-phenyl-2-(propan-2-ylamino)butanamide?
The IUPAC name of 4-(oxetan-3-yloxy)-2-phenyl-2-(propan-2-ylamino)butanamide (CID 102607453) is 4-(oxetan-3-yloxy)-2-phenyl-2-(propan-2-ylamino)butanamide.
What is the SMILES notation for 4-(oxetan-3-yloxy)-2-phenyl-2-(propan-2-ylamino)butanamide?
The canonical SMILES for 4-(oxetan-3-yloxy)-2-phenyl-2-(propan-2-ylamino)butanamide is CC(C)NC(CCOC1COC1)(C(N)=O)c1ccccc1.
What is the InChIKey of 4-(oxetan-3-yloxy)-2-phenyl-2-(propan-2-ylamino)butanamide?
The InChIKey is TWJRHBIKUDEIOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O3/c1-12(2)18-16(15(17)19,13-6-4-3-5-7-13)8-9-21-14-10-20-11-14/h3-7,12,14,18H,8-11H2,1-2H3,(H2,17,19).
What are the key properties of 4-(oxetan-3-yloxy)-2-phenyl-2-(propan-2-ylamino)butanamide?
4-(oxetan-3-yloxy)-2-phenyl-2-(propan-2-ylamino)butanamide has a molecular weight of 292.38 g/mol, XLogP of 1.17, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(oxetan-3-yloxy)-2-phenyl-2-(propan-2-ylamino)butanamide is sourced from PubChem (CID 102607453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).