N-(3-acetylphenyl)-3-ethyloxetane-3-carboxamide

C14H17NO3 — CID 84580189

IUPACN-(3-acetylphenyl)-3-ethyloxetane-3-carboxamide
SMILESCCC1(C(=O)Nc2cccc(C(C)=O)c2)COC1
InChIInChI=1S/C14H17NO3/c1-3-14(8-18-9-14)13(17)15-12-6-4-5-11(7-12)10(2)16/h4-7H,3,8-9H2,1-2H3,(H,15,17)
InChIKeyXIQSWRYJDVAWFS-UHFFFAOYSA-N
MW247.29 g/mol
LogP2.25
Rot. Bonds4

About N-(3-acetylphenyl)-3-ethyloxetane-3-carboxamide

N-(3-acetylphenyl)-3-ethyloxetane-3-carboxamide (PubChem CID 84580189) has the molecular formula C14H17NO3 and a molecular weight of 247.29 g/mol. Its IUPAC name is N-(3-acetylphenyl)-3-ethyloxetane-3-carboxamide.

Molecular Properties

Compound NameN-(3-acetylphenyl)-3-ethyloxetane-3-carboxamide
PubChem CID84580189
Molecular FormulaC14H17NO3
Molecular Weight247.29 g/mol
Exact Mass247.12
IUPAC NameN-(3-acetylphenyl)-3-ethyloxetane-3-carboxamide
SMILESCCC1(C(=O)Nc2cccc(C(C)=O)c2)COC1
InChIInChI=1S/C14H17NO3/c1-3-14(8-18-9-14)13(17)15-12-6-4-5-11(7-12)10(2)16/h4-7H,3,8-9H2,1-2H3,(H,15,17)
InChIKeyXIQSWRYJDVAWFS-UHFFFAOYSA-N
XLogP2.25
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.29
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-N'-(3-acetamidophenyl)-1-N-(3-acetylphenyl)cyclopropane-1,1-dicarboxamide
CID 108983396
N-(3-acetylphenyl)propanamide
CID 903063
N-(3-acetylphenyl)morpholine-4-carbothioamide
CID 19653714
N-(3-acetylphenyl)-4-ethyl-4-methylpiperidine-1-carboxamide
CID 62734496
N-(3-acetylphenyl)-2,2,3,3-tetramethylcyclopropane-1-carboxamide
CID 66476131
1-N'-(3-acetylphenyl)-1-N-(3-chlorophenyl)cyclopropane-1,1-dicarboxamide
CID 108982529
3-[(3-ethylpiperidine-3-carbonyl)amino]benzoic acid
CID 63131356
2-[3-[(1-ethylcyclopropanecarbonyl)amino]phenyl]acetic acid
CID 119351811
1-N-(3-acetylphenyl)-1-N'-(2,6-dimethylphenyl)cyclopropane-1,1-dicarboxamide
CID 108981573
N-(3-acetylphenyl)-1-(4-ethylpiperazine-1-carbonyl)cyclopropane-1-carboxamide
CID 108974195
N-(3-acetylphenyl)-1,3,5,7-tetramethyl-2,4-dioxo-3-azabicyclo[3.3.1]nonane-7-carboxamide
CID 4731195
N-(3-acetylphenyl)-3-methylpiperidine-3-carboxamide;hydrochloride
CID 119943623

Frequently Asked Questions

What is the IUPAC name of N-(3-acetylphenyl)-3-ethyloxetane-3-carboxamide?
The IUPAC name of N-(3-acetylphenyl)-3-ethyloxetane-3-carboxamide (CID 84580189) is N-(3-acetylphenyl)-3-ethyloxetane-3-carboxamide.
What is the SMILES notation for N-(3-acetylphenyl)-3-ethyloxetane-3-carboxamide?
The canonical SMILES for N-(3-acetylphenyl)-3-ethyloxetane-3-carboxamide is CCC1(C(=O)Nc2cccc(C(C)=O)c2)COC1.
What is the InChIKey of N-(3-acetylphenyl)-3-ethyloxetane-3-carboxamide?
The InChIKey is XIQSWRYJDVAWFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17NO3/c1-3-14(8-18-9-14)13(17)15-12-6-4-5-11(7-12)10(2)16/h4-7H,3,8-9H2,1-2H3,(H,15,17).
What are the key properties of N-(3-acetylphenyl)-3-ethyloxetane-3-carboxamide?
N-(3-acetylphenyl)-3-ethyloxetane-3-carboxamide has a molecular weight of 247.29 g/mol, XLogP of 2.25, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-acetylphenyl)-3-ethyloxetane-3-carboxamide is sourced from PubChem (CID 84580189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).