2-[4-(diethylamino)-2-hydroxybenzoyl]-N-(2-hydroxyethyl)-N-propylbenzamide

C23H30N2O4 — CID 59713083

IUPAC2-[4-(diethylamino)-2-hydroxybenzoyl]-N-(2-hydroxyethyl)-N-propylbenzamide
SMILESCCCN(CCO)C(=O)c1ccccc1C(=O)c1ccc(N(CC)CC)cc1O
InChIInChI=1S/C23H30N2O4/c1-4-13-25(14-15-26)23(29)19-10-8-7-9-18(19)22(28)20-12-11-17(16-21(20)27)24(5-2)6-3/h7-12,16,26-27H,4-6,13-15H2,1-3H3
InChIKeyUJEDQOAUQVSGCT-UHFFFAOYSA-N
MW398.50 g/mol
LogP3.31
Rot. Bonds10

About 2-[4-(diethylamino)-2-hydroxybenzoyl]-N-(2-hydroxyethyl)-N-propylbenzamide

2-[4-(diethylamino)-2-hydroxybenzoyl]-N-(2-hydroxyethyl)-N-propylbenzamide (PubChem CID 59713083) has the molecular formula C23H30N2O4 and a molecular weight of 398.50 g/mol. Its IUPAC name is 2-[4-(diethylamino)-2-hydroxybenzoyl]-N-(2-hydroxyethyl)-N-propylbenzamide.

Molecular Properties

Compound Name2-[4-(diethylamino)-2-hydroxybenzoyl]-N-(2-hydroxyethyl)-N-propylbenzamide
PubChem CID59713083
Molecular FormulaC23H30N2O4
Molecular Weight398.50 g/mol
Exact Mass398.22
IUPAC Name2-[4-(diethylamino)-2-hydroxybenzoyl]-N-(2-hydroxyethyl)-N-propylbenzamide
SMILESCCCN(CCO)C(=O)c1ccccc1C(=O)c1ccc(N(CC)CC)cc1O
InChIInChI=1S/C23H30N2O4/c1-4-13-25(14-15-26)23(29)19-10-8-7-9-18(19)22(28)20-12-11-17(16-21(20)27)24(5-2)6-3/h7-12,16,26-27H,4-6,13-15H2,1-3H3
InChIKeyUJEDQOAUQVSGCT-UHFFFAOYSA-N
XLogP3.31
TPSA81.08 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.50
LogP ≤ 53.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-[2-[4-(diethylamino)-2-hydroxybenzoyl]phenyl]-2-hydroxyethanone
CID 67362271
2-[2-[4-(diethylamino)-2-hydroxybenzoyl]phenyl]-2-oxoacetaldehyde
CID 163839608
1-[2-[4-(diethylamino)-2-hydroxybenzoyl]phenyl]hexan-1-one
CID 71476305
2-(2-hydroxyethoxy)ethyl 2-[4-(diethylamino)-2-hydroxybenzoyl]benzoate
CID 153448457
2-[4-[2-carboxyethyl(ethyl)amino]-2-hydroxybenzoyl]benzoic acid
CID 23390564
2-[4-(diethylamino)-2-hydroxybenzoyl]-N-phenylbenzamide
CID 10452870
4-[2-[4-(diethylamino)-2-hydroxybenzoyl]benzoyl]oxybut-2-enyl 2-[4-(diethylamino)-2-hydroxybenzoyl]benzoate
CID 90885318
2,5-bis[4-(diethylamino)-2-hydroxybenzoyl]terephthalic acid
CID 67893360
benzoic acid;methyl 2-[4-(diethylamino)-2-hydroxybenzoyl]benzoate
CID 175238314
1-hydroxy-N-(2-hydroxyethyl)-N-propylnaphthalene-2-carboxamide
CID 60747623
2-[2-[4-[2-[4-(diethylamino)-2-hydroxybenzoyl]benzoyl]piperazine-1-carbonyl]phenyl]-1-[4-(diethylamino)-2-hydroxyphenyl]ethanone
CID 123158886
2,5-dihydroxy-N-(2-hydroxyethyl)-N-propylbenzamide
CID 107722509

Frequently Asked Questions

What is the IUPAC name of 2-[4-(diethylamino)-2-hydroxybenzoyl]-N-(2-hydroxyethyl)-N-propylbenzamide?
The IUPAC name of 2-[4-(diethylamino)-2-hydroxybenzoyl]-N-(2-hydroxyethyl)-N-propylbenzamide (CID 59713083) is 2-[4-(diethylamino)-2-hydroxybenzoyl]-N-(2-hydroxyethyl)-N-propylbenzamide.
What is the SMILES notation for 2-[4-(diethylamino)-2-hydroxybenzoyl]-N-(2-hydroxyethyl)-N-propylbenzamide?
The canonical SMILES for 2-[4-(diethylamino)-2-hydroxybenzoyl]-N-(2-hydroxyethyl)-N-propylbenzamide is CCCN(CCO)C(=O)c1ccccc1C(=O)c1ccc(N(CC)CC)cc1O.
What is the InChIKey of 2-[4-(diethylamino)-2-hydroxybenzoyl]-N-(2-hydroxyethyl)-N-propylbenzamide?
The InChIKey is UJEDQOAUQVSGCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30N2O4/c1-4-13-25(14-15-26)23(29)19-10-8-7-9-18(19)22(28)20-12-11-17(16-21(20)27)24(5-2)6-3/h7-12,16,26-27H,4-6,13-15H2,1-3H3.
What are the key properties of 2-[4-(diethylamino)-2-hydroxybenzoyl]-N-(2-hydroxyethyl)-N-propylbenzamide?
2-[4-(diethylamino)-2-hydroxybenzoyl]-N-(2-hydroxyethyl)-N-propylbenzamide has a molecular weight of 398.50 g/mol, XLogP of 3.31, 10 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(diethylamino)-2-hydroxybenzoyl]-N-(2-hydroxyethyl)-N-propylbenzamide is sourced from PubChem (CID 59713083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).