[(2R)-1-(dimethylamino)-1-oxopropan-2-yl] 4-phenoxybenzoate

C18H19NO4 — CID 9415090

IUPAC[(2R)-1-(dimethylamino)-1-oxopropan-2-yl] 4-phenoxybenzoate
SMILESC[C@@H](OC(=O)c1ccc(Oc2ccccc2)cc1)C(=O)N(C)C
InChIInChI=1S/C18H19NO4/c1-13(17(20)19(2)3)22-18(21)14-9-11-16(12-10-14)23-15-7-5-4-6-8-15/h4-13H,1-3H3/t13-/m1/s1
InChIKeyCNYYQGRYTXYCSW-CYBMUJFWSA-N
MW313.35 g/mol
LogP3.11
Rot. Bonds5

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

[(2R)-1-(dimethylamino)-1-oxopropan-2-yl] 4-phenoxybenzoate (PubChem CID 9415090) has the molecular formula C18H19NO4 and a molecular weight of 313.35 g/mol. Its IUPAC name is [(2R)-1-(dimethylamino)-1-oxopropan-2-yl] 4-phenoxybenzoate.

Molecular Properties

Compound Name[(2R)-1-(dimethylamino)-1-oxopropan-2-yl] 4-phenoxybenzoate
PubChem CID9415090
Molecular FormulaC18H19NO4
Molecular Weight313.35 g/mol
Exact Mass313.13
IUPAC Name[(2R)-1-(dimethylamino)-1-oxopropan-2-yl] 4-phenoxybenzoate
SMILESC[C@@H](OC(=O)c1ccc(Oc2ccccc2)cc1)C(=O)N(C)C
InChIInChI=1S/C18H19NO4/c1-13(17(20)19(2)3)22-18(21)14-9-11-16(12-10-14)23-15-7-5-4-6-8-15/h4-13H,1-3H3/t13-/m1/s1
InChIKeyCNYYQGRYTXYCSW-CYBMUJFWSA-N
XLogP3.11
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.35
LogP ≤ 53.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

[1-(dimethylamino)-1-oxopropan-2-yl] 4-phenylmethoxybenzoate
CID 55392511
[(2S)-1-[cyclohexyl(methyl)amino]-1-oxopropan-2-yl] 4-phenoxybenzoate
CID 7859663
[1-(dimethylamino)-1-oxopropan-2-yl] 4-aminobenzoate
CID 60665667
[(2R)-1-(4-acetamidoanilino)-1-oxopropan-2-yl] 4-phenoxybenzoate
CID 7838042
[(2S)-1-oxo-1-(4-phenoxyanilino)propan-2-yl] 4-acetamidobenzoate
CID 7949676
[1-oxo-1-(pyrimidin-2-ylamino)propan-2-yl] 4-phenoxybenzoate
CID 55475500
propan-2-yl 4-(4-propan-2-yloxycarbonylphenoxy)benzoate
CID 142863752
[(2S)-1-[benzyl(methyl)amino]-1-oxopropan-2-yl] 3-phenoxybenzoate
CID 2123017
[1-(N-methylanilino)-1-oxopropan-2-yl] 4-(trifluoromethoxy)benzoate
CID 55314177
[(2S)-1-oxo-1-(4-phenoxyanilino)propan-2-yl] 4-hydroxybenzoate
CID 2394055
[1-(N-methylanilino)-1-oxopropan-2-yl] 4-bromobenzoate
CID 55318611
4-[(2R)-1-(dimethylamino)-1-oxopropan-2-yl]oxybenzoic acid
CID 40895940

Frequently Asked Questions

What is the IUPAC name of [(2R)-1-(dimethylamino)-1-oxopropan-2-yl] 4-phenoxybenzoate?
The IUPAC name of [(2R)-1-(dimethylamino)-1-oxopropan-2-yl] 4-phenoxybenzoate (CID 9415090) is [(2R)-1-(dimethylamino)-1-oxopropan-2-yl] 4-phenoxybenzoate.
What is the SMILES notation for [(2R)-1-(dimethylamino)-1-oxopropan-2-yl] 4-phenoxybenzoate?
The canonical SMILES for [(2R)-1-(dimethylamino)-1-oxopropan-2-yl] 4-phenoxybenzoate is C[C@@H](OC(=O)c1ccc(Oc2ccccc2)cc1)C(=O)N(C)C.
What is the InChIKey of [(2R)-1-(dimethylamino)-1-oxopropan-2-yl] 4-phenoxybenzoate?
The InChIKey is CNYYQGRYTXYCSW-CYBMUJFWSA-N. The full InChI is InChI=1S/C18H19NO4/c1-13(17(20)19(2)3)22-18(21)14-9-11-16(12-10-14)23-15-7-5-4-6-8-15/h4-13H,1-3H3/t13-/m1/s1.
What are the key properties of [(2R)-1-(dimethylamino)-1-oxopropan-2-yl] 4-phenoxybenzoate?
[(2R)-1-(dimethylamino)-1-oxopropan-2-yl] 4-phenoxybenzoate has a molecular weight of 313.35 g/mol, XLogP of 3.11, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-1-(dimethylamino)-1-oxopropan-2-yl] 4-phenoxybenzoate is sourced from PubChem (CID 9415090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).