[1-(dimethylamino)-1-oxopropan-2-yl] 3-(methoxymethyl)benzoate

C14H19NO4 — CID 55392843

IUPAC[1-(dimethylamino)-1-oxopropan-2-yl] 3-(methoxymethyl)benzoate
SMILESCOCc1cccc(C(=O)OC(C)C(=O)N(C)C)c1
InChIInChI=1S/C14H19NO4/c1-10(13(16)15(2)3)19-14(17)12-7-5-6-11(8-12)9-18-4/h5-8,10H,9H2,1-4H3
InChIKeyNNNBZAFORCRFEO-UHFFFAOYSA-N
MW265.31 g/mol
LogP1.47
Rot. Bonds5

About [1-(dimethylamino)-1-oxopropan-2-yl] 3-(methoxymethyl)benzoate

[1-(dimethylamino)-1-oxopropan-2-yl] 3-(methoxymethyl)benzoate (PubChem CID 55392843) has the molecular formula C14H19NO4 and a molecular weight of 265.31 g/mol. Its IUPAC name is [1-(dimethylamino)-1-oxopropan-2-yl] 3-(methoxymethyl)benzoate.

Molecular Properties

Compound Name[1-(dimethylamino)-1-oxopropan-2-yl] 3-(methoxymethyl)benzoate
PubChem CID55392843
Molecular FormulaC14H19NO4
Molecular Weight265.31 g/mol
Exact Mass265.13
IUPAC Name[1-(dimethylamino)-1-oxopropan-2-yl] 3-(methoxymethyl)benzoate
SMILESCOCc1cccc(C(=O)OC(C)C(=O)N(C)C)c1
InChIInChI=1S/C14H19NO4/c1-10(13(16)15(2)3)19-14(17)12-7-5-6-11(8-12)9-18-4/h5-8,10H,9H2,1-4H3
InChIKeyNNNBZAFORCRFEO-UHFFFAOYSA-N
XLogP1.47
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.31
LogP ≤ 51.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

[1-(4-methoxyphenyl)-1-oxopropan-2-yl] 3-(methoxymethyl)benzoate
CID 55385903
[(2R)-1-(4-bromophenyl)-1-oxopropan-2-yl] 3-(methoxymethyl)benzoate
CID 9065153
[(2R)-1-(2-methoxyethylamino)-1-oxopropan-2-yl] 3-(methoxymethyl)benzoate
CID 8998609
[(2R)-1-anilino-1-oxopropan-2-yl] 3-(methoxymethyl)benzoate
CID 9065135
[(2R)-1-(2,6-dichloroanilino)-1-oxopropan-2-yl] 3-(methoxymethyl)benzoate
CID 8998621
[(2S)-1-(4-methylanilino)-1-oxopropan-2-yl] 3-(methoxymethyl)benzoate
CID 9065029
[(2R)-1-(4-acetylanilino)-1-oxopropan-2-yl] 3-(methoxymethyl)benzoate
CID 9064856
[(2S)-1-[(4-methoxyphenyl)methylamino]-1-oxopropan-2-yl] 3-(methoxymethyl)benzoate
CID 9065044
[(2S)-1-(2-methoxyanilino)-1-oxopropan-2-yl] 3-(methoxymethyl)benzoate
CID 9065132
[1-(naphthalen-1-ylamino)-1-oxopropan-2-yl] 3-(methoxymethyl)benzoate
CID 18197163
[(2S)-1-(3,4-difluoroanilino)-1-oxopropan-2-yl] 3-(methoxymethyl)benzoate
CID 8998646
[(2R)-1-[4-(methanesulfonamido)phenyl]-1-oxopropan-2-yl] 3-(methoxymethyl)benzoate
CID 8582611

Frequently Asked Questions

What is the IUPAC name of [1-(dimethylamino)-1-oxopropan-2-yl] 3-(methoxymethyl)benzoate?
The IUPAC name of [1-(dimethylamino)-1-oxopropan-2-yl] 3-(methoxymethyl)benzoate (CID 55392843) is [1-(dimethylamino)-1-oxopropan-2-yl] 3-(methoxymethyl)benzoate.
What is the SMILES notation for [1-(dimethylamino)-1-oxopropan-2-yl] 3-(methoxymethyl)benzoate?
The canonical SMILES for [1-(dimethylamino)-1-oxopropan-2-yl] 3-(methoxymethyl)benzoate is COCc1cccc(C(=O)OC(C)C(=O)N(C)C)c1.
What is the InChIKey of [1-(dimethylamino)-1-oxopropan-2-yl] 3-(methoxymethyl)benzoate?
The InChIKey is NNNBZAFORCRFEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO4/c1-10(13(16)15(2)3)19-14(17)12-7-5-6-11(8-12)9-18-4/h5-8,10H,9H2,1-4H3.
What are the key properties of [1-(dimethylamino)-1-oxopropan-2-yl] 3-(methoxymethyl)benzoate?
[1-(dimethylamino)-1-oxopropan-2-yl] 3-(methoxymethyl)benzoate has a molecular weight of 265.31 g/mol, XLogP of 1.47, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(dimethylamino)-1-oxopropan-2-yl] 3-(methoxymethyl)benzoate is sourced from PubChem (CID 55392843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).