[1-(dimethylamino)-1-oxopropan-2-yl] 4-phenylmethoxybenzoate

C19H21NO4 — CID 55392511

IUPAC[1-(dimethylamino)-1-oxopropan-2-yl] 4-phenylmethoxybenzoate
SMILESCC(OC(=O)c1ccc(OCc2ccccc2)cc1)C(=O)N(C)C
InChIInChI=1S/C19H21NO4/c1-14(18(21)20(2)3)24-19(22)16-9-11-17(12-10-16)23-13-15-7-5-4-6-8-15/h4-12,14H,13H2,1-3H3
InChIKeyLHOGWSWQYGNZIZ-UHFFFAOYSA-N
MW327.38 g/mol
LogP2.90
Rot. Bonds6

About [1-(dimethylamino)-1-oxopropan-2-yl] 4-phenylmethoxybenzoate

[1-(dimethylamino)-1-oxopropan-2-yl] 4-phenylmethoxybenzoate (PubChem CID 55392511) has the molecular formula C19H21NO4 and a molecular weight of 327.38 g/mol. Its IUPAC name is [1-(dimethylamino)-1-oxopropan-2-yl] 4-phenylmethoxybenzoate.

Molecular Properties

Compound Name[1-(dimethylamino)-1-oxopropan-2-yl] 4-phenylmethoxybenzoate
PubChem CID55392511
Molecular FormulaC19H21NO4
Molecular Weight327.38 g/mol
Exact Mass327.15
IUPAC Name[1-(dimethylamino)-1-oxopropan-2-yl] 4-phenylmethoxybenzoate
SMILESCC(OC(=O)c1ccc(OCc2ccccc2)cc1)C(=O)N(C)C
InChIInChI=1S/C19H21NO4/c1-14(18(21)20(2)3)24-19(22)16-9-11-17(12-10-16)23-13-15-7-5-4-6-8-15/h4-12,14H,13H2,1-3H3
InChIKeyLHOGWSWQYGNZIZ-UHFFFAOYSA-N
XLogP2.90
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.38
LogP ≤ 52.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

[(2R)-1-methoxy-1-oxopropan-2-yl] 4-phenylmethoxybenzoate
CID 14985162
[(2R)-1-(dimethylamino)-1-oxopropan-2-yl] 4-phenoxybenzoate
CID 9415090
[(2S)-1-(4-ethoxyphenyl)-1-oxopropan-2-yl] 4-phenylmethoxybenzoate
CID 7222135
[1-oxo-1-(propan-2-ylamino)propan-2-yl] 4-phenylmethoxybenzoate
CID 46810938
propan-2-yl 4-(phenoxymethyl)benzoate
CID 55357147
[(2R)-1-oxo-1-(4-phenylmethoxyanilino)propan-2-yl] benzoate
CID 7514975
[(2S)-1-oxo-1-(4-phenylmethoxyanilino)propan-2-yl] 4-methoxybenzoate
CID 7872698
2-methylpropyl 4-phenylmethoxybenzoate
CID 19702441
4-O-[1-[benzyl(methyl)amino]-1-oxopropan-2-yl] 1-O-methyl benzene-1,4-dicarboxylate
CID 42898779
[1-[benzyl(methyl)amino]-1-oxopropan-2-yl] 4-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzoate
CID 46608954
[(2S)-1-(N-methylanilino)-1-oxopropan-2-yl] 2-(4-phenylmethoxyphenoxy)acetate
CID 7839766
[(2R)-octan-2-yl] 4-phenylmethoxybenzoate
CID 139762634

Frequently Asked Questions

What is the IUPAC name of [1-(dimethylamino)-1-oxopropan-2-yl] 4-phenylmethoxybenzoate?
The IUPAC name of [1-(dimethylamino)-1-oxopropan-2-yl] 4-phenylmethoxybenzoate (CID 55392511) is [1-(dimethylamino)-1-oxopropan-2-yl] 4-phenylmethoxybenzoate.
What is the SMILES notation for [1-(dimethylamino)-1-oxopropan-2-yl] 4-phenylmethoxybenzoate?
The canonical SMILES for [1-(dimethylamino)-1-oxopropan-2-yl] 4-phenylmethoxybenzoate is CC(OC(=O)c1ccc(OCc2ccccc2)cc1)C(=O)N(C)C.
What is the InChIKey of [1-(dimethylamino)-1-oxopropan-2-yl] 4-phenylmethoxybenzoate?
The InChIKey is LHOGWSWQYGNZIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21NO4/c1-14(18(21)20(2)3)24-19(22)16-9-11-17(12-10-16)23-13-15-7-5-4-6-8-15/h4-12,14H,13H2,1-3H3.
What are the key properties of [1-(dimethylamino)-1-oxopropan-2-yl] 4-phenylmethoxybenzoate?
[1-(dimethylamino)-1-oxopropan-2-yl] 4-phenylmethoxybenzoate has a molecular weight of 327.38 g/mol, XLogP of 2.90, 6 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] 4-phenylmethoxybenzoate is sourced from PubChem (CID 55392511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).