[1-oxo-1-(propan-2-ylamino)propan-2-yl] 4-phenylmethoxybenzoate

C20H23NO4 — CID 46810938

IUPAC[1-oxo-1-(propan-2-ylamino)propan-2-yl] 4-phenylmethoxybenzoate
SMILESCC(C)NC(=O)C(C)OC(=O)c1ccc(OCc2ccccc2)cc1
InChIInChI=1S/C20H23NO4/c1-14(2)21-19(22)15(3)25-20(23)17-9-11-18(12-10-17)24-13-16-7-5-4-6-8-16/h4-12,14-15H,13H2,1-3H3,(H,21,22)
InChIKeyQVKFTRKHACHMAY-UHFFFAOYSA-N
MW341.41 g/mol
LogP3.34
Rot. Bonds7

About [1-oxo-1-(propan-2-ylamino)propan-2-yl] 4-phenylmethoxybenzoate

[1-oxo-1-(propan-2-ylamino)propan-2-yl] 4-phenylmethoxybenzoate (PubChem CID 46810938) has the molecular formula C20H23NO4 and a molecular weight of 341.41 g/mol. Its IUPAC name is [1-oxo-1-(propan-2-ylamino)propan-2-yl] 4-phenylmethoxybenzoate.

Molecular Properties

Compound Name[1-oxo-1-(propan-2-ylamino)propan-2-yl] 4-phenylmethoxybenzoate
PubChem CID46810938
Molecular FormulaC20H23NO4
Molecular Weight341.41 g/mol
Exact Mass341.16
IUPAC Name[1-oxo-1-(propan-2-ylamino)propan-2-yl] 4-phenylmethoxybenzoate
SMILESCC(C)NC(=O)C(C)OC(=O)c1ccc(OCc2ccccc2)cc1
InChIInChI=1S/C20H23NO4/c1-14(2)21-19(22)15(3)25-20(23)17-9-11-18(12-10-17)24-13-16-7-5-4-6-8-16/h4-12,14-15H,13H2,1-3H3,(H,21,22)
InChIKeyQVKFTRKHACHMAY-UHFFFAOYSA-N
XLogP3.34
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.41
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[(2R)-1-methoxy-1-oxopropan-2-yl] 4-phenylmethoxybenzoate
CID 14985162
[(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
[(2S)-1-(4-ethoxyphenyl)-1-oxopropan-2-yl] 4-phenylmethoxybenzoate
CID 7222135
[1-(dimethylamino)-1-oxopropan-2-yl] 4-phenylmethoxybenzoate
CID 55392511
[1-oxo-1-(propan-2-ylamino)propan-2-yl] (E)-3-(4-phenylmethoxyphenyl)prop-2-enoate
CID 55365994
[(2R)-1-oxo-1-(thiophen-2-ylmethylamino)propan-2-yl] 4-phenylmethoxybenzoate
CID 8734898
N-[2-oxo-2-(propan-2-ylamino)ethyl]-4-phenylmethoxybenzamide
CID 9300981
[1-oxo-1-(propan-2-ylamino)propan-2-yl] 4-ethylbenzoate
CID 46810309
propan-2-yl 4-(phenoxymethyl)benzoate
CID 55357147
[(2S)-1-(2-chloroanilino)-1-oxopropan-2-yl] 4-(phenoxymethyl)benzoate
CID 8738169
[(2R)-1-(2-chloroanilino)-1-oxopropan-2-yl] 4-(phenoxymethyl)benzoate
CID 8738170

Frequently Asked Questions

What is the IUPAC name of [1-oxo-1-(propan-2-ylamino)propan-2-yl] 4-phenylmethoxybenzoate?
The IUPAC name of [1-oxo-1-(propan-2-ylamino)propan-2-yl] 4-phenylmethoxybenzoate (CID 46810938) is [1-oxo-1-(propan-2-ylamino)propan-2-yl] 4-phenylmethoxybenzoate.
What is the SMILES notation for [1-oxo-1-(propan-2-ylamino)propan-2-yl] 4-phenylmethoxybenzoate?
The canonical SMILES for [1-oxo-1-(propan-2-ylamino)propan-2-yl] 4-phenylmethoxybenzoate is CC(C)NC(=O)C(C)OC(=O)c1ccc(OCc2ccccc2)cc1.
What is the InChIKey of [1-oxo-1-(propan-2-ylamino)propan-2-yl] 4-phenylmethoxybenzoate?
The InChIKey is QVKFTRKHACHMAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23NO4/c1-14(2)21-19(22)15(3)25-20(23)17-9-11-18(12-10-17)24-13-16-7-5-4-6-8-16/h4-12,14-15H,13H2,1-3H3,(H,21,22).
What are the key properties of [1-oxo-1-(propan-2-ylamino)propan-2-yl] 4-phenylmethoxybenzoate?
[1-oxo-1-(propan-2-ylamino)propan-2-yl] 4-phenylmethoxybenzoate has a molecular weight of 341.41 g/mol, XLogP of 3.34, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-oxo-1-(propan-2-ylamino)propan-2-yl] 4-phenylmethoxybenzoate is sourced from PubChem (CID 46810938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).