1-[2-[3-[di(propan-2-yl)amino]-2-hydroxypropoxy]phenyl]-3-phenylpropan-1-one

C24H33NO3 — CID 10249395

IUPAC1-[2-[3-[di(propan-2-yl)amino]-2-hydroxypropoxy]phenyl]-3-phenylpropan-1-one
SMILESCC(C)N(CC(O)COc1ccccc1C(=O)CCc1ccccc1)C(C)C
InChIInChI=1S/C24H33NO3/c1-18(2)25(19(3)4)16-21(26)17-28-24-13-9-8-12-22(24)23(27)15-14-20-10-6-5-7-11-20/h5-13,18-19,21,26H,14-17H2,1-4H3
InChIKeyYHCMGBVTONMCJM-UHFFFAOYSA-N
MW383.53 g/mol
LogP4.36
Rot. Bonds11

About 1-[2-[3-[di(propan-2-yl)amino]-2-hydroxypropoxy]phenyl]-3-phenylpropan-1-one

1-[2-[3-[di(propan-2-yl)amino]-2-hydroxypropoxy]phenyl]-3-phenylpropan-1-one (PubChem CID 10249395) has the molecular formula C24H33NO3 and a molecular weight of 383.53 g/mol. Its IUPAC name is 1-[2-[3-[di(propan-2-yl)amino]-2-hydroxypropoxy]phenyl]-3-phenylpropan-1-one.

Molecular Properties

Compound Name1-[2-[3-[di(propan-2-yl)amino]-2-hydroxypropoxy]phenyl]-3-phenylpropan-1-one
PubChem CID10249395
Molecular FormulaC24H33NO3
Molecular Weight383.53 g/mol
Exact Mass383.25
IUPAC Name1-[2-[3-[di(propan-2-yl)amino]-2-hydroxypropoxy]phenyl]-3-phenylpropan-1-one
SMILESCC(C)N(CC(O)COc1ccccc1C(=O)CCc1ccccc1)C(C)C
InChIInChI=1S/C24H33NO3/c1-18(2)25(19(3)4)16-21(26)17-28-24-13-9-8-12-22(24)23(27)15-14-20-10-6-5-7-11-20/h5-13,18-19,21,26H,14-17H2,1-4H3
InChIKeyYHCMGBVTONMCJM-UHFFFAOYSA-N
XLogP4.36
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.53
LogP ≤ 54.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[2-[3-[di(propan-2-yl)amino]-2-hydroxypropoxy]phenyl]-3-phenylpropan-1-one?
The IUPAC name of 1-[2-[3-[di(propan-2-yl)amino]-2-hydroxypropoxy]phenyl]-3-phenylpropan-1-one (CID 10249395) is 1-[2-[3-[di(propan-2-yl)amino]-2-hydroxypropoxy]phenyl]-3-phenylpropan-1-one.
What is the SMILES notation for 1-[2-[3-[di(propan-2-yl)amino]-2-hydroxypropoxy]phenyl]-3-phenylpropan-1-one?
The canonical SMILES for 1-[2-[3-[di(propan-2-yl)amino]-2-hydroxypropoxy]phenyl]-3-phenylpropan-1-one is CC(C)N(CC(O)COc1ccccc1C(=O)CCc1ccccc1)C(C)C.
What is the InChIKey of 1-[2-[3-[di(propan-2-yl)amino]-2-hydroxypropoxy]phenyl]-3-phenylpropan-1-one?
The InChIKey is YHCMGBVTONMCJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H33NO3/c1-18(2)25(19(3)4)16-21(26)17-28-24-13-9-8-12-22(24)23(27)15-14-20-10-6-5-7-11-20/h5-13,18-19,21,26H,14-17H2,1-4H3.
What are the key properties of 1-[2-[3-[di(propan-2-yl)amino]-2-hydroxypropoxy]phenyl]-3-phenylpropan-1-one?
1-[2-[3-[di(propan-2-yl)amino]-2-hydroxypropoxy]phenyl]-3-phenylpropan-1-one has a molecular weight of 383.53 g/mol, XLogP of 4.36, 11 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[3-[di(propan-2-yl)amino]-2-hydroxypropoxy]phenyl]-3-phenylpropan-1-one is sourced from PubChem (CID 10249395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).