1-(4-benzoylphenoxy)-3-(propan-2-ylamino)propan-2-one

C19H21NO3 — CID 20507347

IUPAC1-(4-benzoylphenoxy)-3-(propan-2-ylamino)propan-2-one
SMILESCC(C)NCC(=O)COc1ccc(C(=O)c2ccccc2)cc1
InChIInChI=1S/C19H21NO3/c1-14(2)20-12-17(21)13-23-18-10-8-16(9-11-18)19(22)15-6-4-3-5-7-15/h3-11,14,20H,12-13H2,1-2H3
InChIKeyDTGDVNYIRDIDFD-UHFFFAOYSA-N
MW311.38 g/mol
LogP2.86
Rot. Bonds8

About 1-(4-benzoylphenoxy)-3-(propan-2-ylamino)propan-2-one

1-(4-benzoylphenoxy)-3-(propan-2-ylamino)propan-2-one (PubChem CID 20507347) has the molecular formula C19H21NO3 and a molecular weight of 311.38 g/mol. Its IUPAC name is 1-(4-benzoylphenoxy)-3-(propan-2-ylamino)propan-2-one.

Molecular Properties

Compound Name1-(4-benzoylphenoxy)-3-(propan-2-ylamino)propan-2-one
PubChem CID20507347
Molecular FormulaC19H21NO3
Molecular Weight311.38 g/mol
Exact Mass311.15
IUPAC Name1-(4-benzoylphenoxy)-3-(propan-2-ylamino)propan-2-one
SMILESCC(C)NCC(=O)COc1ccc(C(=O)c2ccccc2)cc1
InChIInChI=1S/C19H21NO3/c1-14(2)20-12-17(21)13-23-18-10-8-16(9-11-18)19(22)15-6-4-3-5-7-15/h3-11,14,20H,12-13H2,1-2H3
InChIKeyDTGDVNYIRDIDFD-UHFFFAOYSA-N
XLogP2.86
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.38
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[4-[2-oxo-3-(propan-2-ylamino)propoxy]phenyl]acetamide
CID 86150201
1-(4-benzoylphenoxy)-3-methylpentan-2-one
CID 71182680
CID 157442056
CID 157442056
(2S)-2-[[2-(4-benzoylphenoxy)acetyl]amino]-3-methylbutanoic acid
CID 119359613
5-amino-1-(4-benzoylphenoxy)pentan-2-one
CID 58115304
2-(4-benzoylphenoxy)-N-[(2-methylpropan-2-yl)oxy]acetamide
CID 75435846
2-[[2-(4-benzoylphenoxy)acetyl]-ethylamino]-N-propan-2-ylacetamide
CID 3577124
methyl 4-[2-(4-benzoylphenoxy)acetyl]oxybenzoate
CID 8001541
2-(4-benzoylphenoxy)-N-[(1S)-1-(4-chlorophenyl)ethyl]acetamide
CID 7948812
2-(4-benzoylphenoxy)-N-(1-pyridin-2-ylethyl)acetamide
CID 112758991
3-[[2-(4-benzoylphenoxy)acetyl]-methylamino]-2-methylpropanoic acid
CID 122111906
[4-[8-(4-benzoylphenoxy)octoxy]phenyl]-phenylmethanone
CID 134886756

Frequently Asked Questions

What is the IUPAC name of 1-(4-benzoylphenoxy)-3-(propan-2-ylamino)propan-2-one?
The IUPAC name of 1-(4-benzoylphenoxy)-3-(propan-2-ylamino)propan-2-one (CID 20507347) is 1-(4-benzoylphenoxy)-3-(propan-2-ylamino)propan-2-one.
What is the SMILES notation for 1-(4-benzoylphenoxy)-3-(propan-2-ylamino)propan-2-one?
The canonical SMILES for 1-(4-benzoylphenoxy)-3-(propan-2-ylamino)propan-2-one is CC(C)NCC(=O)COc1ccc(C(=O)c2ccccc2)cc1.
What is the InChIKey of 1-(4-benzoylphenoxy)-3-(propan-2-ylamino)propan-2-one?
The InChIKey is DTGDVNYIRDIDFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21NO3/c1-14(2)20-12-17(21)13-23-18-10-8-16(9-11-18)19(22)15-6-4-3-5-7-15/h3-11,14,20H,12-13H2,1-2H3.
What are the key properties of 1-(4-benzoylphenoxy)-3-(propan-2-ylamino)propan-2-one?
1-(4-benzoylphenoxy)-3-(propan-2-ylamino)propan-2-one has a molecular weight of 311.38 g/mol, XLogP of 2.86, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-benzoylphenoxy)-3-(propan-2-ylamino)propan-2-one is sourced from PubChem (CID 20507347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).