1-phenyl-3-[(4-phenyl-1,3-dioxan-5-yl)amino]propan-1-one

C19H21NO3 — CID 110176915

IUPAC1-phenyl-3-[(4-phenyl-1,3-dioxan-5-yl)amino]propan-1-one
SMILESO=C(CCNC1COCOC1c1ccccc1)c1ccccc1
InChIInChI=1S/C19H21NO3/c21-18(15-7-3-1-4-8-15)11-12-20-17-13-22-14-23-19(17)16-9-5-2-6-10-16/h1-10,17,19-20H,11-14H2
InChIKeyOBMPSDJWUXGISR-UHFFFAOYSA-N
MW311.38 g/mol
LogP2.96
Rot. Bonds6

About 1-phenyl-3-[(4-phenyl-1,3-dioxan-5-yl)amino]propan-1-one

1-phenyl-3-[(4-phenyl-1,3-dioxan-5-yl)amino]propan-1-one (PubChem CID 110176915) has the molecular formula C19H21NO3 and a molecular weight of 311.38 g/mol. Its IUPAC name is 1-phenyl-3-[(4-phenyl-1,3-dioxan-5-yl)amino]propan-1-one.

Molecular Properties

Compound Name1-phenyl-3-[(4-phenyl-1,3-dioxan-5-yl)amino]propan-1-one
PubChem CID110176915
Molecular FormulaC19H21NO3
Molecular Weight311.38 g/mol
Exact Mass311.15
IUPAC Name1-phenyl-3-[(4-phenyl-1,3-dioxan-5-yl)amino]propan-1-one
SMILESO=C(CCNC1COCOC1c1ccccc1)c1ccccc1
InChIInChI=1S/C19H21NO3/c21-18(15-7-3-1-4-8-15)11-12-20-17-13-22-14-23-19(17)16-9-5-2-6-10-16/h1-10,17,19-20H,11-14H2
InChIKeyOBMPSDJWUXGISR-UHFFFAOYSA-N
XLogP2.96
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.38
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

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(4R,5R)-4-phenyl-1,3-dioxan-5-amine
CID 11116629
ethane;3-(methylamino)-1-phenylpropan-1-one
CID 91239900
(4S,5S)-5-chloro-4-phenyl-1,3-dioxane
CID 95562202
[4-(ethylamino)oxolan-3-yl]-phenylmethanone
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3-(2-chloroethylamino)-1-phenylpropan-1-one
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CID 102607070

Frequently Asked Questions

What is the IUPAC name of 1-phenyl-3-[(4-phenyl-1,3-dioxan-5-yl)amino]propan-1-one?
The IUPAC name of 1-phenyl-3-[(4-phenyl-1,3-dioxan-5-yl)amino]propan-1-one (CID 110176915) is 1-phenyl-3-[(4-phenyl-1,3-dioxan-5-yl)amino]propan-1-one.
What is the SMILES notation for 1-phenyl-3-[(4-phenyl-1,3-dioxan-5-yl)amino]propan-1-one?
The canonical SMILES for 1-phenyl-3-[(4-phenyl-1,3-dioxan-5-yl)amino]propan-1-one is O=C(CCNC1COCOC1c1ccccc1)c1ccccc1.
What is the InChIKey of 1-phenyl-3-[(4-phenyl-1,3-dioxan-5-yl)amino]propan-1-one?
The InChIKey is OBMPSDJWUXGISR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21NO3/c21-18(15-7-3-1-4-8-15)11-12-20-17-13-22-14-23-19(17)16-9-5-2-6-10-16/h1-10,17,19-20H,11-14H2.
What are the key properties of 1-phenyl-3-[(4-phenyl-1,3-dioxan-5-yl)amino]propan-1-one?
1-phenyl-3-[(4-phenyl-1,3-dioxan-5-yl)amino]propan-1-one has a molecular weight of 311.38 g/mol, XLogP of 2.96, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenyl-3-[(4-phenyl-1,3-dioxan-5-yl)amino]propan-1-one is sourced from PubChem (CID 110176915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).