2,2-bis[4-[2-hydroxyethyl(methyl)amino]phenyl]-1-phenylethanone

C26H30N2O3 — CID 3729021

IUPAC2,2-bis[4-[2-hydroxyethyl(methyl)amino]phenyl]-1-phenylethanone
SMILESCN(CCO)c1ccc(C(C(=O)c2ccccc2)c2ccc(N(C)CCO)cc2)cc1
InChIInChI=1S/C26H30N2O3/c1-27(16-18-29)23-12-8-20(9-13-23)25(26(31)22-6-4-3-5-7-22)21-10-14-24(15-11-21)28(2)17-19-30/h3-15,25,29-30H,16-19H2,1-2H3
InChIKeyZVENSWZMHXNMPZ-UHFFFAOYSA-N
MW418.54 g/mol
LogP3.56
Rot. Bonds10

About 2,2-bis[4-[2-hydroxyethyl(methyl)amino]phenyl]-1-phenylethanone

2,2-bis[4-[2-hydroxyethyl(methyl)amino]phenyl]-1-phenylethanone (PubChem CID 3729021) has the molecular formula C26H30N2O3 and a molecular weight of 418.54 g/mol. Its IUPAC name is 2,2-bis[4-[2-hydroxyethyl(methyl)amino]phenyl]-1-phenylethanone.

Molecular Properties

Compound Name2,2-bis[4-[2-hydroxyethyl(methyl)amino]phenyl]-1-phenylethanone
PubChem CID3729021
Molecular FormulaC26H30N2O3
Molecular Weight418.54 g/mol
Exact Mass418.23
IUPAC Name2,2-bis[4-[2-hydroxyethyl(methyl)amino]phenyl]-1-phenylethanone
SMILESCN(CCO)c1ccc(C(C(=O)c2ccccc2)c2ccc(N(C)CCO)cc2)cc1
InChIInChI=1S/C26H30N2O3/c1-27(16-18-29)23-12-8-20(9-13-23)25(26(31)22-6-4-3-5-7-22)21-10-14-24(15-11-21)28(2)17-19-30/h3-15,25,29-30H,16-19H2,1-2H3
InChIKeyZVENSWZMHXNMPZ-UHFFFAOYSA-N
XLogP3.56
TPSA64.01 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.54
LogP ≤ 53.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_F(14)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2,2-bis[4-[2-hydroxyethyl(methyl)amino]phenyl]-1-phenylethanone?
The IUPAC name of 2,2-bis[4-[2-hydroxyethyl(methyl)amino]phenyl]-1-phenylethanone (CID 3729021) is 2,2-bis[4-[2-hydroxyethyl(methyl)amino]phenyl]-1-phenylethanone.
What is the SMILES notation for 2,2-bis[4-[2-hydroxyethyl(methyl)amino]phenyl]-1-phenylethanone?
The canonical SMILES for 2,2-bis[4-[2-hydroxyethyl(methyl)amino]phenyl]-1-phenylethanone is CN(CCO)c1ccc(C(C(=O)c2ccccc2)c2ccc(N(C)CCO)cc2)cc1.
What is the InChIKey of 2,2-bis[4-[2-hydroxyethyl(methyl)amino]phenyl]-1-phenylethanone?
The InChIKey is ZVENSWZMHXNMPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H30N2O3/c1-27(16-18-29)23-12-8-20(9-13-23)25(26(31)22-6-4-3-5-7-22)21-10-14-24(15-11-21)28(2)17-19-30/h3-15,25,29-30H,16-19H2,1-2H3.
What are the key properties of 2,2-bis[4-[2-hydroxyethyl(methyl)amino]phenyl]-1-phenylethanone?
2,2-bis[4-[2-hydroxyethyl(methyl)amino]phenyl]-1-phenylethanone has a molecular weight of 418.54 g/mol, XLogP of 3.56, 10 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-bis[4-[2-hydroxyethyl(methyl)amino]phenyl]-1-phenylethanone is sourced from PubChem (CID 3729021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).