N-[4-[(4,4-dimethyl-3-oxo-1,2-oxazolidin-2-yl)methyl]phenyl]acetamide

C14H18N2O3 — CID 134094953

IUPACN-[4-[(4,4-dimethyl-3-oxo-1,2-oxazolidin-2-yl)methyl]phenyl]acetamide
SMILESCC(=O)Nc1ccc(CN2OCC(C)(C)C2=O)cc1
InChIInChI=1S/C14H18N2O3/c1-10(17)15-12-6-4-11(5-7-12)8-16-13(18)14(2,3)9-19-16/h4-7H,8-9H2,1-3H3,(H,15,17)
InChIKeyGGRSWKVPXIRPTJ-UHFFFAOYSA-N
MW262.31 g/mol
LogP1.95
Rot. Bonds3

About N-[4-[(4,4-dimethyl-3-oxo-1,2-oxazolidin-2-yl)methyl]phenyl]acetamide

N-[4-[(4,4-dimethyl-3-oxo-1,2-oxazolidin-2-yl)methyl]phenyl]acetamide (PubChem CID 134094953) has the molecular formula C14H18N2O3 and a molecular weight of 262.31 g/mol. Its IUPAC name is N-[4-[(4,4-dimethyl-3-oxo-1,2-oxazolidin-2-yl)methyl]phenyl]acetamide.

Molecular Properties

Compound NameN-[4-[(4,4-dimethyl-3-oxo-1,2-oxazolidin-2-yl)methyl]phenyl]acetamide
PubChem CID134094953
Molecular FormulaC14H18N2O3
Molecular Weight262.31 g/mol
Exact Mass262.13
IUPAC NameN-[4-[(4,4-dimethyl-3-oxo-1,2-oxazolidin-2-yl)methyl]phenyl]acetamide
SMILESCC(=O)Nc1ccc(CN2OCC(C)(C)C2=O)cc1
InChIInChI=1S/C14H18N2O3/c1-10(17)15-12-6-4-11(5-7-12)8-16-13(18)14(2,3)9-19-16/h4-7H,8-9H2,1-3H3,(H,15,17)
InChIKeyGGRSWKVPXIRPTJ-UHFFFAOYSA-N
XLogP1.95
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.31
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(1S,6R)-6-[[4-[(4,4-dimethyl-3-oxo-1,2-oxazolidin-2-yl)methyl]phenyl]carbamoyl]-4-methylcyclohex-3-ene-1-carboxylic acid
CID 15051983
N-[4-[[(1-methylcyclobutyl)methylamino]methyl]phenyl]acetamide
CID 103735819
N-[4-[[(3R,5S)-3,5-dimethylpiperidin-1-yl]methyl]phenyl]acetamide
CID 26458271
N-[4-[[4-[(4-tert-butylphenyl)methyl]piperazin-1-yl]methyl]phenyl]acetamide
CID 3793854
N-[4-[[[1-(hydroxymethyl)cyclopropyl]methylamino]methyl]phenyl]acetamide
CID 79478656
2-[[2-chloro-4-(4,5-dihydro-1,3-thiazol-2-ylamino)phenyl]methyl]-4,4-dimethyl-1,2-oxazolidin-3-one
CID 56689343
N-[4-(trimethylsilylmethyl)phenyl]acetamide
CID 12065655
methyl (3S)-1-[(4-acetamidophenyl)methyl]-3-methylpyrrolidine-3-carboxylate
CID 97160325
2-[(2-bromo-4-fluorophenyl)methyl]-4,4-dimethyl-1,2-oxazolidin-3-one
CID 13192581
N-[4-[[4-(hydroxymethyl)-2-oxopyrrolidin-1-yl]methyl]phenyl]acetamide
CID 168662043
N-[4-[[(1-hydroxycyclohexyl)methylamino]methyl]phenyl]acetamide
CID 62865493
N-[4-[(4-aminopiperidin-1-yl)methyl]phenyl]acetamide;hydrochloride
CID 118025180

Frequently Asked Questions

What is the IUPAC name of N-[4-[(4,4-dimethyl-3-oxo-1,2-oxazolidin-2-yl)methyl]phenyl]acetamide?
The IUPAC name of N-[4-[(4,4-dimethyl-3-oxo-1,2-oxazolidin-2-yl)methyl]phenyl]acetamide (CID 134094953) is N-[4-[(4,4-dimethyl-3-oxo-1,2-oxazolidin-2-yl)methyl]phenyl]acetamide.
What is the SMILES notation for N-[4-[(4,4-dimethyl-3-oxo-1,2-oxazolidin-2-yl)methyl]phenyl]acetamide?
The canonical SMILES for N-[4-[(4,4-dimethyl-3-oxo-1,2-oxazolidin-2-yl)methyl]phenyl]acetamide is CC(=O)Nc1ccc(CN2OCC(C)(C)C2=O)cc1.
What is the InChIKey of N-[4-[(4,4-dimethyl-3-oxo-1,2-oxazolidin-2-yl)methyl]phenyl]acetamide?
The InChIKey is GGRSWKVPXIRPTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O3/c1-10(17)15-12-6-4-11(5-7-12)8-16-13(18)14(2,3)9-19-16/h4-7H,8-9H2,1-3H3,(H,15,17).
What are the key properties of N-[4-[(4,4-dimethyl-3-oxo-1,2-oxazolidin-2-yl)methyl]phenyl]acetamide?
N-[4-[(4,4-dimethyl-3-oxo-1,2-oxazolidin-2-yl)methyl]phenyl]acetamide has a molecular weight of 262.31 g/mol, XLogP of 1.95, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(4,4-dimethyl-3-oxo-1,2-oxazolidin-2-yl)methyl]phenyl]acetamide is sourced from PubChem (CID 134094953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).