3-phenyl-1-(4-propan-2-ylmorpholin-2-yl)propan-1-one

C16H23NO2 — CID 79664689

IUPAC3-phenyl-1-(4-propan-2-ylmorpholin-2-yl)propan-1-one
SMILESCC(C)N1CCOC(C(=O)CCc2ccccc2)C1
InChIInChI=1S/C16H23NO2/c1-13(2)17-10-11-19-16(12-17)15(18)9-8-14-6-4-3-5-7-14/h3-7,13,16H,8-12H2,1-2H3
InChIKeyCONLKNVAGJFDEZ-UHFFFAOYSA-N
MW261.36 g/mol
LogP2.30
Rot. Bonds5

About 3-phenyl-1-(4-propan-2-ylmorpholin-2-yl)propan-1-one

3-phenyl-1-(4-propan-2-ylmorpholin-2-yl)propan-1-one (PubChem CID 79664689) has the molecular formula C16H23NO2 and a molecular weight of 261.36 g/mol. Its IUPAC name is 3-phenyl-1-(4-propan-2-ylmorpholin-2-yl)propan-1-one.

Molecular Properties

Compound Name3-phenyl-1-(4-propan-2-ylmorpholin-2-yl)propan-1-one
PubChem CID79664689
Molecular FormulaC16H23NO2
Molecular Weight261.36 g/mol
Exact Mass261.17
IUPAC Name3-phenyl-1-(4-propan-2-ylmorpholin-2-yl)propan-1-one
SMILESCC(C)N1CCOC(C(=O)CCc2ccccc2)C1
InChIInChI=1S/C16H23NO2/c1-13(2)17-10-11-19-16(12-17)15(18)9-8-14-6-4-3-5-7-14/h3-7,13,16H,8-12H2,1-2H3
InChIKeyCONLKNVAGJFDEZ-UHFFFAOYSA-N
XLogP2.30
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.36
LogP ≤ 52.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-methylmorpholin-2-yl)-3-phenylpropan-1-one
CID 79077304
2-(3-fluorophenyl)-1-(4-propan-2-ylmorpholin-2-yl)ethanone
CID 79657371
2-(4-chlorophenyl)-1-(4-propan-2-ylmorpholin-2-yl)ethanone
CID 79664016
(2-fluorophenyl)-(4-propan-2-ylmorpholin-2-yl)methanone
CID 79658227
2-(5-bromothiophen-2-yl)-1-(4-propan-2-ylmorpholin-2-yl)ethanone
CID 79657983
2-(2-chloro-4-methylphenyl)-1-(4-propan-2-ylmorpholin-2-yl)ethanone
CID 106867043
4-(1-phenylbutyl)morpholine-2-carboxylic acid
CID 65067118
2-(4-bromothiophen-2-yl)-1-(4-propan-2-ylmorpholin-2-yl)ethanone
CID 79657291
1-[2-(1-aminoethyl)morpholin-4-yl]-3-phenylpropan-1-one
CID 81424795
(2S)-1-(3-phenylpropanoyl)-4-propan-2-ylpiperazine-2-carboxamide
CID 124951183
1-(4-ethylmorpholin-2-yl)-3-thiophen-3-ylpropan-1-one
CID 79665999
2-methyl-1-(4-propan-2-ylmorpholin-2-yl)butan-1-one
CID 79657753

Frequently Asked Questions

What is the IUPAC name of 3-phenyl-1-(4-propan-2-ylmorpholin-2-yl)propan-1-one?
The IUPAC name of 3-phenyl-1-(4-propan-2-ylmorpholin-2-yl)propan-1-one (CID 79664689) is 3-phenyl-1-(4-propan-2-ylmorpholin-2-yl)propan-1-one.
What is the SMILES notation for 3-phenyl-1-(4-propan-2-ylmorpholin-2-yl)propan-1-one?
The canonical SMILES for 3-phenyl-1-(4-propan-2-ylmorpholin-2-yl)propan-1-one is CC(C)N1CCOC(C(=O)CCc2ccccc2)C1.
What is the InChIKey of 3-phenyl-1-(4-propan-2-ylmorpholin-2-yl)propan-1-one?
The InChIKey is CONLKNVAGJFDEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO2/c1-13(2)17-10-11-19-16(12-17)15(18)9-8-14-6-4-3-5-7-14/h3-7,13,16H,8-12H2,1-2H3.
What are the key properties of 3-phenyl-1-(4-propan-2-ylmorpholin-2-yl)propan-1-one?
3-phenyl-1-(4-propan-2-ylmorpholin-2-yl)propan-1-one has a molecular weight of 261.36 g/mol, XLogP of 2.30, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-phenyl-1-(4-propan-2-ylmorpholin-2-yl)propan-1-one is sourced from PubChem (CID 79664689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).