N-(3-acetylphenyl)-2-(oxan-4-yl)acetamide

C15H19NO3 — CID 110861044

IUPACN-(3-acetylphenyl)-2-(oxan-4-yl)acetamide
SMILESCC(=O)c1cccc(NC(=O)CC2CCOCC2)c1
InChIInChI=1S/C15H19NO3/c1-11(17)13-3-2-4-14(10-13)16-15(18)9-12-5-7-19-8-6-12/h2-4,10,12H,5-9H2,1H3,(H,16,18)
InChIKeyQMTZFAUFGNGVRU-UHFFFAOYSA-N
MW261.32 g/mol
LogP2.64
Rot. Bonds4

About N-(3-acetylphenyl)-2-(oxan-4-yl)acetamide

N-(3-acetylphenyl)-2-(oxan-4-yl)acetamide (PubChem CID 110861044) has the molecular formula C15H19NO3 and a molecular weight of 261.32 g/mol. Its IUPAC name is N-(3-acetylphenyl)-2-(oxan-4-yl)acetamide.

Molecular Properties

Compound NameN-(3-acetylphenyl)-2-(oxan-4-yl)acetamide
PubChem CID110861044
Molecular FormulaC15H19NO3
Molecular Weight261.32 g/mol
Exact Mass261.14
IUPAC NameN-(3-acetylphenyl)-2-(oxan-4-yl)acetamide
SMILESCC(=O)c1cccc(NC(=O)CC2CCOCC2)c1
InChIInChI=1S/C15H19NO3/c1-11(17)13-3-2-4-14(10-13)16-15(18)9-12-5-7-19-8-6-12/h2-4,10,12H,5-9H2,1H3,(H,16,18)
InChIKeyQMTZFAUFGNGVRU-UHFFFAOYSA-N
XLogP2.64
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.32
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-acetylphenyl)-2-(1,1-dioxothian-4-yl)acetamide
CID 110861049
2-(oxan-4-yl)-N-phenylacetamide
CID 110856528
2-[3-[[2-(oxan-4-yl)acetyl]amino]phenyl]acetic acid
CID 119351700
N-(3-acetylphenyl)-2-(8-azabicyclo[3.2.1]octan-3-yl)acetamide
CID 79610778
N-(3-acetylphenyl)-2-(8-azabicyclo[3.2.1]octan-3-yl)acetamide;hydrochloride
CID 119673318
[3-[[4-[[2-(oxan-4-yl)acetyl]amino]phenyl]carbamoyl]phenyl] acetate
CID 108927767
[3-[[3-[[2-(oxan-4-yl)acetyl]amino]phenyl]methylcarbamoyl]phenyl] acetate
CID 108929308
methyl 3-[(2-cyclobutylacetyl)amino]benzoate
CID 103706367
3-[(2-cycloheptylacetyl)amino]benzoic acid
CID 115909872
N-(3-acetylphenyl)oxolane-3-carboxamide
CID 61276696
N-(3-acetylphenyl)oxane-4-sulfonamide
CID 62048626
N-(3-bromophenyl)-2-(oxan-4-ylmethylamino)acetamide
CID 63711846

Frequently Asked Questions

What is the IUPAC name of N-(3-acetylphenyl)-2-(oxan-4-yl)acetamide?
The IUPAC name of N-(3-acetylphenyl)-2-(oxan-4-yl)acetamide (CID 110861044) is N-(3-acetylphenyl)-2-(oxan-4-yl)acetamide.
What is the SMILES notation for N-(3-acetylphenyl)-2-(oxan-4-yl)acetamide?
The canonical SMILES for N-(3-acetylphenyl)-2-(oxan-4-yl)acetamide is CC(=O)c1cccc(NC(=O)CC2CCOCC2)c1.
What is the InChIKey of N-(3-acetylphenyl)-2-(oxan-4-yl)acetamide?
The InChIKey is QMTZFAUFGNGVRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NO3/c1-11(17)13-3-2-4-14(10-13)16-15(18)9-12-5-7-19-8-6-12/h2-4,10,12H,5-9H2,1H3,(H,16,18).
What are the key properties of N-(3-acetylphenyl)-2-(oxan-4-yl)acetamide?
N-(3-acetylphenyl)-2-(oxan-4-yl)acetamide has a molecular weight of 261.32 g/mol, XLogP of 2.64, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-acetylphenyl)-2-(oxan-4-yl)acetamide is sourced from PubChem (CID 110861044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).