3-methoxy-N-(3-methyloxetan-3-yl)-4-propan-2-ylbenzamide

C15H21NO3 — CID 178124951

IUPAC3-methoxy-N-(3-methyloxetan-3-yl)-4-propan-2-ylbenzamide
SMILESCOc1cc(C(=O)NC2(C)COC2)ccc1C(C)C
InChIInChI=1S/C15H21NO3/c1-10(2)12-6-5-11(7-13(12)18-4)14(17)16-15(3)8-19-9-15/h5-7,10H,8-9H2,1-4H3,(H,16,17)
InChIKeyYARMZVKQGBDKMT-UHFFFAOYSA-N
MW263.34 g/mol
LogP2.34
Rot. Bonds4

About 3-methoxy-N-(3-methyloxetan-3-yl)-4-propan-2-ylbenzamide

3-methoxy-N-(3-methyloxetan-3-yl)-4-propan-2-ylbenzamide (PubChem CID 178124951) has the molecular formula C15H21NO3 and a molecular weight of 263.34 g/mol. Its IUPAC name is 3-methoxy-N-(3-methyloxetan-3-yl)-4-propan-2-ylbenzamide.

Molecular Properties

Compound Name3-methoxy-N-(3-methyloxetan-3-yl)-4-propan-2-ylbenzamide
PubChem CID178124951
Molecular FormulaC15H21NO3
Molecular Weight263.34 g/mol
Exact Mass263.15
IUPAC Name3-methoxy-N-(3-methyloxetan-3-yl)-4-propan-2-ylbenzamide
SMILESCOc1cc(C(=O)NC2(C)COC2)ccc1C(C)C
InChIInChI=1S/C15H21NO3/c1-10(2)12-6-5-11(7-13(12)18-4)14(17)16-15(3)8-19-9-15/h5-7,10H,8-9H2,1-4H3,(H,16,17)
InChIKeyYARMZVKQGBDKMT-UHFFFAOYSA-N
XLogP2.34
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-methoxy-4-propan-2-ylbenzoic acid
CID 20750185
3-bromo-4-methoxy-N-(1-methylcyclobutyl)benzamide
CID 115766099
3-amino-4-methoxy-N-(1-methylcyclopentyl)benzamide
CID 61364767
3,4-dimethoxy-N-[2-(2-propan-2-ylphenoxy)ethyl]benzamide
CID 99099115
4-methoxy-N-(3-methyloxolan-3-yl)-3-(2-oxoimidazolidin-1-yl)benzamide
CID 146084355
4-amino-N-[1-(hydroxymethyl)cyclopropyl]-3-methoxybenzamide
CID 89028285
3,4-dimethoxy-N'-[2-(5-methyl-2-propan-2-ylphenoxy)acetyl]benzohydrazide
CID 4923561
1-[3-(4-methoxy-2-methyl-5-propan-2-ylphenyl)oxetan-3-yl]ethanone
CID 116873715
methyl 2-hydroxy-2-(3-methoxy-4-propan-2-ylphenyl)acetate
CID 117349069
3,5-dimethoxy-4-methyl-N-(4-methylpiperidin-4-yl)benzamide;hydrochloride
CID 120567388
4-amino-N-[(3-hydroxyoxolan-3-yl)methyl]-3-methoxybenzamide
CID 106099007
N-[3-(2-amino-2-oxoethyl)oxetan-3-yl]-4-methoxy-3-methylbenzamide
CID 112533564

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-N-(3-methyloxetan-3-yl)-4-propan-2-ylbenzamide?
The IUPAC name of 3-methoxy-N-(3-methyloxetan-3-yl)-4-propan-2-ylbenzamide (CID 178124951) is 3-methoxy-N-(3-methyloxetan-3-yl)-4-propan-2-ylbenzamide.
What is the SMILES notation for 3-methoxy-N-(3-methyloxetan-3-yl)-4-propan-2-ylbenzamide?
The canonical SMILES for 3-methoxy-N-(3-methyloxetan-3-yl)-4-propan-2-ylbenzamide is COc1cc(C(=O)NC2(C)COC2)ccc1C(C)C.
What is the InChIKey of 3-methoxy-N-(3-methyloxetan-3-yl)-4-propan-2-ylbenzamide?
The InChIKey is YARMZVKQGBDKMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO3/c1-10(2)12-6-5-11(7-13(12)18-4)14(17)16-15(3)8-19-9-15/h5-7,10H,8-9H2,1-4H3,(H,16,17).
What are the key properties of 3-methoxy-N-(3-methyloxetan-3-yl)-4-propan-2-ylbenzamide?
3-methoxy-N-(3-methyloxetan-3-yl)-4-propan-2-ylbenzamide has a molecular weight of 263.34 g/mol, XLogP of 2.34, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-N-(3-methyloxetan-3-yl)-4-propan-2-ylbenzamide is sourced from PubChem (CID 178124951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).