(3-methoxy-2,2-dimethylpropyl) 2-[4-(diethylamino)-2-hydroxybenzoyl]benzoate

C24H31NO5 — CID 142944915

IUPAC(3-methoxy-2,2-dimethylpropyl) 2-[4-(diethylamino)-2-hydroxybenzoyl]benzoate
SMILESCCN(CC)c1ccc(C(=O)c2ccccc2C(=O)OCC(C)(C)COC)c(O)c1
InChIInChI=1S/C24H31NO5/c1-6-25(7-2)17-12-13-20(21(26)14-17)22(27)18-10-8-9-11-19(18)23(28)30-16-24(3,4)15-29-5/h8-14,26H,6-7,15-16H2,1-5H3
InChIKeyFFDHZOACODSNLQ-UHFFFAOYSA-N
MW413.51 g/mol
LogP4.30
Rot. Bonds10

About (3-methoxy-2,2-dimethylpropyl) 2-[4-(diethylamino)-2-hydroxybenzoyl]benzoate

(3-methoxy-2,2-dimethylpropyl) 2-[4-(diethylamino)-2-hydroxybenzoyl]benzoate (PubChem CID 142944915) has the molecular formula C24H31NO5 and a molecular weight of 413.51 g/mol. Its IUPAC name is (3-methoxy-2,2-dimethylpropyl) 2-[4-(diethylamino)-2-hydroxybenzoyl]benzoate.

Molecular Properties

Compound Name(3-methoxy-2,2-dimethylpropyl) 2-[4-(diethylamino)-2-hydroxybenzoyl]benzoate
PubChem CID142944915
Molecular FormulaC24H31NO5
Molecular Weight413.51 g/mol
Exact Mass413.22
IUPAC Name(3-methoxy-2,2-dimethylpropyl) 2-[4-(diethylamino)-2-hydroxybenzoyl]benzoate
SMILESCCN(CC)c1ccc(C(=O)c2ccccc2C(=O)OCC(C)(C)COC)c(O)c1
InChIInChI=1S/C24H31NO5/c1-6-25(7-2)17-12-13-20(21(26)14-17)22(27)18-10-8-9-11-19(18)23(28)30-16-24(3,4)15-29-5/h8-14,26H,6-7,15-16H2,1-5H3
InChIKeyFFDHZOACODSNLQ-UHFFFAOYSA-N
XLogP4.30
TPSA76.07 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.51
LogP ≤ 54.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-[2-[4-(diethylamino)-2-hydroxybenzoyl]benzoyl]oxybut-2-enyl 2-[4-(diethylamino)-2-hydroxybenzoyl]benzoate
CID 90885318
benzoic acid;methyl 2-[4-(diethylamino)-2-hydroxybenzoyl]benzoate
CID 175238314
2-(2-hydroxyethoxy)ethyl 2-[4-(diethylamino)-2-hydroxybenzoyl]benzoate
CID 153448457
[(E)-4-[2-[4-(diethylamino)-2-hydroxybenzoyl]benzoyl]oxybut-2-enyl] 2-[4-(diethylamino)-2-methylbenzoyl]benzoate
CID 142905842
1-[2-[4-(diethylamino)-2-hydroxybenzoyl]phenyl]-2-hydroxyethanone
CID 67362271
2-[2-[4-(diethylamino)-2-hydroxybenzoyl]phenyl]-2-oxoacetaldehyde
CID 163839608
methyl 4-(diethylamino)-2-hydroxybenzoate
CID 18402115
1-[2-[4-(diethylamino)-2-hydroxybenzoyl]phenyl]hexan-1-one
CID 71476305
2-[4-(diethylamino)-2-hydroxybenzoyl]-N-phenylbenzamide
CID 10452870
2,5-bis[4-(diethylamino)-2-hydroxybenzoyl]terephthalic acid
CID 67893360
2-[4-[2-carboxyethyl(ethyl)amino]-2-hydroxybenzoyl]benzoic acid
CID 23390564
2-[4-(diethylamino)-2-hydroxybenzoyl]-N-(2-hydroxyethyl)-N-propylbenzamide
CID 59713083

Frequently Asked Questions

What is the IUPAC name of (3-methoxy-2,2-dimethylpropyl) 2-[4-(diethylamino)-2-hydroxybenzoyl]benzoate?
The IUPAC name of (3-methoxy-2,2-dimethylpropyl) 2-[4-(diethylamino)-2-hydroxybenzoyl]benzoate (CID 142944915) is (3-methoxy-2,2-dimethylpropyl) 2-[4-(diethylamino)-2-hydroxybenzoyl]benzoate.
What is the SMILES notation for (3-methoxy-2,2-dimethylpropyl) 2-[4-(diethylamino)-2-hydroxybenzoyl]benzoate?
The canonical SMILES for (3-methoxy-2,2-dimethylpropyl) 2-[4-(diethylamino)-2-hydroxybenzoyl]benzoate is CCN(CC)c1ccc(C(=O)c2ccccc2C(=O)OCC(C)(C)COC)c(O)c1.
What is the InChIKey of (3-methoxy-2,2-dimethylpropyl) 2-[4-(diethylamino)-2-hydroxybenzoyl]benzoate?
The InChIKey is FFDHZOACODSNLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H31NO5/c1-6-25(7-2)17-12-13-20(21(26)14-17)22(27)18-10-8-9-11-19(18)23(28)30-16-24(3,4)15-29-5/h8-14,26H,6-7,15-16H2,1-5H3.
What are the key properties of (3-methoxy-2,2-dimethylpropyl) 2-[4-(diethylamino)-2-hydroxybenzoyl]benzoate?
(3-methoxy-2,2-dimethylpropyl) 2-[4-(diethylamino)-2-hydroxybenzoyl]benzoate has a molecular weight of 413.51 g/mol, XLogP of 4.30, 10 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3-methoxy-2,2-dimethylpropyl) 2-[4-(diethylamino)-2-hydroxybenzoyl]benzoate is sourced from PubChem (CID 142944915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).