2-(4-methyl-1,3-dioxetan-2-yl)-N-phenylpropanamide

C12H15NO3 — CID 70819815

IUPAC2-(4-methyl-1,3-dioxetan-2-yl)-N-phenylpropanamide
SMILESCC1OC(C(C)C(=O)Nc2ccccc2)O1
InChIInChI=1S/C12H15NO3/c1-8(12-15-9(2)16-12)11(14)13-10-6-4-3-5-7-10/h3-9,12H,1-2H3,(H,13,14)
InChIKeyBIIQPOVMWQWMKW-UHFFFAOYSA-N
MW221.26 g/mol
LogP1.98
Rot. Bonds3

About 2-(4-methyl-1,3-dioxetan-2-yl)-N-phenylpropanamide

2-(4-methyl-1,3-dioxetan-2-yl)-N-phenylpropanamide (PubChem CID 70819815) has the molecular formula C12H15NO3 and a molecular weight of 221.26 g/mol. Its IUPAC name is 2-(4-methyl-1,3-dioxetan-2-yl)-N-phenylpropanamide.

Molecular Properties

Compound Name2-(4-methyl-1,3-dioxetan-2-yl)-N-phenylpropanamide
PubChem CID70819815
Molecular FormulaC12H15NO3
Molecular Weight221.26 g/mol
Exact Mass221.11
IUPAC Name2-(4-methyl-1,3-dioxetan-2-yl)-N-phenylpropanamide
SMILESCC1OC(C(C)C(=O)Nc2ccccc2)O1
InChIInChI=1S/C12H15NO3/c1-8(12-15-9(2)16-12)11(14)13-10-6-4-3-5-7-10/h3-9,12H,1-2H3,(H,13,14)
InChIKeyBIIQPOVMWQWMKW-UHFFFAOYSA-N
XLogP1.98
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.26
LogP ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-fluorophenyl)-2-(4-methyl-1,3-dioxetan-2-yl)-2-phenylacetamide
CID 70814155
N-(2,5-difluorophenyl)-2-(4-methyl-1,3-dioxetan-2-yl)propanamide
CID 70819782
(2R)-2-amino-N-phenylpropanamide
CID 10607114
2-(1-anilino-1-oxopropan-2-yl)oxy-N-phenylpropanamide
CID 141218606
(2R)-2-methoxy-N-phenylpropanamide
CID 11805321
(2S)-2-(methylamino)-N-phenylpropanamide;hydrochloride
CID 70254304
2-(2,4-dioxo-1,3-thiazolidin-5-yl)-N-phenylpropanamide
CID 18807696
2-methyl-N,4,4-triphenylbut-3-enamide
CID 134919204
2-[(2-methylcyclopropyl)amino]-N-phenylpropanamide
CID 62397765
(1-acetyloxy-2-anilino-2-oxoethyl) acetate
CID 177149111
2-amino-3-methyl-N-phenylbutanamide;hydrochloride
CID 53409039
(2S)-2-(chloroamino)-3-methyl-N-phenylbutanamide
CID 88902411

Frequently Asked Questions

What is the IUPAC name of 2-(4-methyl-1,3-dioxetan-2-yl)-N-phenylpropanamide?
The IUPAC name of 2-(4-methyl-1,3-dioxetan-2-yl)-N-phenylpropanamide (CID 70819815) is 2-(4-methyl-1,3-dioxetan-2-yl)-N-phenylpropanamide.
What is the SMILES notation for 2-(4-methyl-1,3-dioxetan-2-yl)-N-phenylpropanamide?
The canonical SMILES for 2-(4-methyl-1,3-dioxetan-2-yl)-N-phenylpropanamide is CC1OC(C(C)C(=O)Nc2ccccc2)O1.
What is the InChIKey of 2-(4-methyl-1,3-dioxetan-2-yl)-N-phenylpropanamide?
The InChIKey is BIIQPOVMWQWMKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15NO3/c1-8(12-15-9(2)16-12)11(14)13-10-6-4-3-5-7-10/h3-9,12H,1-2H3,(H,13,14).
What are the key properties of 2-(4-methyl-1,3-dioxetan-2-yl)-N-phenylpropanamide?
2-(4-methyl-1,3-dioxetan-2-yl)-N-phenylpropanamide has a molecular weight of 221.26 g/mol, XLogP of 1.98, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methyl-1,3-dioxetan-2-yl)-N-phenylpropanamide is sourced from PubChem (CID 70819815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).