2-[bis(2-hydroxyethenyl)amino]-2-methyl-1-(4-phenylphenyl)propan-1-one

C20H21NO3 — CID 175705422

IUPAC2-[bis(2-hydroxyethenyl)amino]-2-methyl-1-(4-phenylphenyl)propan-1-one
SMILESCC(C)(C(=O)c1ccc(-c2ccccc2)cc1)N(C=CO)C=CO
InChIInChI=1S/C20H21NO3/c1-20(2,21(12-14-22)13-15-23)19(24)18-10-8-17(9-11-18)16-6-4-3-5-7-16/h3-15,22-23H,1-2H3
InChIKeyYXWOUQXVVIGCDH-UHFFFAOYSA-N
MW323.39 g/mol
LogP4.68
Rot. Bonds6

About 2-[bis(2-hydroxyethenyl)amino]-2-methyl-1-(4-phenylphenyl)propan-1-one

2-[bis(2-hydroxyethenyl)amino]-2-methyl-1-(4-phenylphenyl)propan-1-one (PubChem CID 175705422) has the molecular formula C20H21NO3 and a molecular weight of 323.39 g/mol. Its IUPAC name is 2-[bis(2-hydroxyethenyl)amino]-2-methyl-1-(4-phenylphenyl)propan-1-one.

Molecular Properties

Compound Name2-[bis(2-hydroxyethenyl)amino]-2-methyl-1-(4-phenylphenyl)propan-1-one
PubChem CID175705422
Molecular FormulaC20H21NO3
Molecular Weight323.39 g/mol
Exact Mass323.15
IUPAC Name2-[bis(2-hydroxyethenyl)amino]-2-methyl-1-(4-phenylphenyl)propan-1-one
SMILESCC(C)(C(=O)c1ccc(-c2ccccc2)cc1)N(C=CO)C=CO
InChIInChI=1S/C20H21NO3/c1-20(2,21(12-14-22)13-15-23)19(24)18-10-8-17(9-11-18)16-6-4-3-5-7-16/h3-15,22-23H,1-2H3
InChIKeyYXWOUQXVVIGCDH-UHFFFAOYSA-N
XLogP4.68
TPSA60.77 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.39
LogP ≤ 54.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

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Related Compounds

2-(dimethylamino)-2-methyl-1-(4-phenylphenyl)butan-1-one
CID 79057003
2-(aminomethyl)-2-methyl-1-(4-phenylphenyl)butan-1-one
CID 116610814
3-(dimethylamino)-1-(4-phenylphenyl)prop-2-en-1-one
CID 737448
(4-phenylbenzoyl)oxidanium
CID 148658843
sodium;hydride;4-phenylbenzoic acid
CID 173392993
potassium;hydride;4-phenylbenzoic acid
CID 173045180
ethane;4-phenylbenzoic acid;propane
CID 156791718
3,3,3-trifluoro-2,2-dihydroxy-1-(4-phenylphenyl)propan-1-one
CID 162537864
(Z)-3-[hydroxy(methyl)amino]-1-(4-phenylphenyl)prop-2-en-1-one
CID 10060825
ethane;1-(4-phenylphenyl)ethanone
CID 123256888
3-(4-tert-butylphenyl)-2,2-dimethyl-1-(4-phenylphenyl)propan-1-one
CID 100928850
phenyl-(4-phenylphenyl)methanone
CID 155775877

Frequently Asked Questions

What is the IUPAC name of 2-[bis(2-hydroxyethenyl)amino]-2-methyl-1-(4-phenylphenyl)propan-1-one?
The IUPAC name of 2-[bis(2-hydroxyethenyl)amino]-2-methyl-1-(4-phenylphenyl)propan-1-one (CID 175705422) is 2-[bis(2-hydroxyethenyl)amino]-2-methyl-1-(4-phenylphenyl)propan-1-one.
What is the SMILES notation for 2-[bis(2-hydroxyethenyl)amino]-2-methyl-1-(4-phenylphenyl)propan-1-one?
The canonical SMILES for 2-[bis(2-hydroxyethenyl)amino]-2-methyl-1-(4-phenylphenyl)propan-1-one is CC(C)(C(=O)c1ccc(-c2ccccc2)cc1)N(C=CO)C=CO.
What is the InChIKey of 2-[bis(2-hydroxyethenyl)amino]-2-methyl-1-(4-phenylphenyl)propan-1-one?
The InChIKey is YXWOUQXVVIGCDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21NO3/c1-20(2,21(12-14-22)13-15-23)19(24)18-10-8-17(9-11-18)16-6-4-3-5-7-16/h3-15,22-23H,1-2H3.
What are the key properties of 2-[bis(2-hydroxyethenyl)amino]-2-methyl-1-(4-phenylphenyl)propan-1-one?
2-[bis(2-hydroxyethenyl)amino]-2-methyl-1-(4-phenylphenyl)propan-1-one has a molecular weight of 323.39 g/mol, XLogP of 4.68, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[bis(2-hydroxyethenyl)amino]-2-methyl-1-(4-phenylphenyl)propan-1-one is sourced from PubChem (CID 175705422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).