2-[2-[4-(diethylamino)-2-hydroxybenzoyl]phenyl]-2-oxoacetaldehyde

C19H19NO4 — CID 163839608

IUPAC2-[2-[4-(diethylamino)-2-hydroxybenzoyl]phenyl]-2-oxoacetaldehyde
SMILESCCN(CC)c1ccc(C(=O)c2ccccc2C(=O)C=O)c(O)c1
InChIInChI=1S/C19H19NO4/c1-3-20(4-2)13-9-10-16(17(22)11-13)19(24)15-8-6-5-7-14(15)18(23)12-21/h5-12,22H,3-4H2,1-2H3
InChIKeyOKTZWOJPLWCZTB-UHFFFAOYSA-N
MW325.36 g/mol
LogP2.85
Rot. Bonds7

About 2-[2-[4-(diethylamino)-2-hydroxybenzoyl]phenyl]-2-oxoacetaldehyde

2-[2-[4-(diethylamino)-2-hydroxybenzoyl]phenyl]-2-oxoacetaldehyde (PubChem CID 163839608) has the molecular formula C19H19NO4 and a molecular weight of 325.36 g/mol. Its IUPAC name is 2-[2-[4-(diethylamino)-2-hydroxybenzoyl]phenyl]-2-oxoacetaldehyde.

Molecular Properties

Compound Name2-[2-[4-(diethylamino)-2-hydroxybenzoyl]phenyl]-2-oxoacetaldehyde
PubChem CID163839608
Molecular FormulaC19H19NO4
Molecular Weight325.36 g/mol
Exact Mass325.13
IUPAC Name2-[2-[4-(diethylamino)-2-hydroxybenzoyl]phenyl]-2-oxoacetaldehyde
SMILESCCN(CC)c1ccc(C(=O)c2ccccc2C(=O)C=O)c(O)c1
InChIInChI=1S/C19H19NO4/c1-3-20(4-2)13-9-10-16(17(22)11-13)19(24)15-8-6-5-7-14(15)18(23)12-21/h5-12,22H,3-4H2,1-2H3
InChIKeyOKTZWOJPLWCZTB-UHFFFAOYSA-N
XLogP2.85
TPSA74.68 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.36
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Related Compounds

1-[2-[4-(diethylamino)-2-hydroxybenzoyl]phenyl]-2-hydroxyethanone
CID 67362271
4-[2-[4-(diethylamino)-2-hydroxybenzoyl]benzoyl]oxybut-2-enyl 2-[4-(diethylamino)-2-hydroxybenzoyl]benzoate
CID 90885318
2-[4-(diethylamino)-2-hydroxybenzoyl]-N-phenylbenzamide
CID 10452870
1-[2-[4-(diethylamino)-2-hydroxybenzoyl]phenyl]hexan-1-one
CID 71476305
2,5-bis[4-(diethylamino)-2-hydroxybenzoyl]terephthalic acid
CID 67893360
2-[4-[2-carboxyethyl(ethyl)amino]-2-hydroxybenzoyl]benzoic acid
CID 23390564
benzoic acid;methyl 2-[4-(diethylamino)-2-hydroxybenzoyl]benzoate
CID 175238314
2-[4-(diethylamino)-2-hydroxybenzoyl]-N-(2-hydroxyethyl)-N-propylbenzamide
CID 59713083
[(E)-4-[2-[4-(diethylamino)-2-hydroxybenzoyl]benzoyl]oxybut-2-enyl] 2-[4-(diethylamino)-2-methylbenzoyl]benzoate
CID 142905842
2-(2-hydroxyethoxy)ethyl 2-[4-(diethylamino)-2-hydroxybenzoyl]benzoate
CID 153448457
(3-methoxy-2,2-dimethylpropyl) 2-[4-(diethylamino)-2-hydroxybenzoyl]benzoate
CID 142944915
2-[2-[4-[2-[4-(diethylamino)-2-hydroxybenzoyl]benzoyl]piperazine-1-carbonyl]phenyl]-1-[4-(diethylamino)-2-hydroxyphenyl]ethanone
CID 123158886

Frequently Asked Questions

What is the IUPAC name of 2-[2-[4-(diethylamino)-2-hydroxybenzoyl]phenyl]-2-oxoacetaldehyde?
The IUPAC name of 2-[2-[4-(diethylamino)-2-hydroxybenzoyl]phenyl]-2-oxoacetaldehyde (CID 163839608) is 2-[2-[4-(diethylamino)-2-hydroxybenzoyl]phenyl]-2-oxoacetaldehyde.
What is the SMILES notation for 2-[2-[4-(diethylamino)-2-hydroxybenzoyl]phenyl]-2-oxoacetaldehyde?
The canonical SMILES for 2-[2-[4-(diethylamino)-2-hydroxybenzoyl]phenyl]-2-oxoacetaldehyde is CCN(CC)c1ccc(C(=O)c2ccccc2C(=O)C=O)c(O)c1.
What is the InChIKey of 2-[2-[4-(diethylamino)-2-hydroxybenzoyl]phenyl]-2-oxoacetaldehyde?
The InChIKey is OKTZWOJPLWCZTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19NO4/c1-3-20(4-2)13-9-10-16(17(22)11-13)19(24)15-8-6-5-7-14(15)18(23)12-21/h5-12,22H,3-4H2,1-2H3.
What are the key properties of 2-[2-[4-(diethylamino)-2-hydroxybenzoyl]phenyl]-2-oxoacetaldehyde?
2-[2-[4-(diethylamino)-2-hydroxybenzoyl]phenyl]-2-oxoacetaldehyde has a molecular weight of 325.36 g/mol, XLogP of 2.85, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[4-(diethylamino)-2-hydroxybenzoyl]phenyl]-2-oxoacetaldehyde is sourced from PubChem (CID 163839608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).