N-ethyl-4-[ethyl(methyl)amino]-2-hydroxy-N-(5-hydroxy-2-methyl-4-propanoylphenyl)-5-methylbenzamide

C23H30N2O4 — CID 166831097

IUPACN-ethyl-4-[ethyl(methyl)amino]-2-hydroxy-N-(5-hydroxy-2-methyl-4-propanoylphenyl)-5-methylbenzamide
SMILESCCC(=O)c1cc(C)c(N(CC)C(=O)c2cc(C)c(N(C)CC)cc2O)cc1O
InChIInChI=1S/C23H30N2O4/c1-7-20(26)16-10-15(5)19(13-21(16)27)25(9-3)23(29)17-11-14(4)18(12-22(17)28)24(6)8-2/h10-13,27-28H,7-9H2,1-6H3
InChIKeyFSHMOJCQNBJHFJ-UHFFFAOYSA-N
MW398.50 g/mol
LogP4.43
Rot. Bonds7

About N-ethyl-4-[ethyl(methyl)amino]-2-hydroxy-N-(5-hydroxy-2-methyl-4-propanoylphenyl)-5-methylbenzamide

N-ethyl-4-[ethyl(methyl)amino]-2-hydroxy-N-(5-hydroxy-2-methyl-4-propanoylphenyl)-5-methylbenzamide (PubChem CID 166831097) has the molecular formula C23H30N2O4 and a molecular weight of 398.50 g/mol. Its IUPAC name is N-ethyl-4-[ethyl(methyl)amino]-2-hydroxy-N-(5-hydroxy-2-methyl-4-propanoylphenyl)-5-methylbenzamide.

Molecular Properties

Compound NameN-ethyl-4-[ethyl(methyl)amino]-2-hydroxy-N-(5-hydroxy-2-methyl-4-propanoylphenyl)-5-methylbenzamide
PubChem CID166831097
Molecular FormulaC23H30N2O4
Molecular Weight398.50 g/mol
Exact Mass398.22
IUPAC NameN-ethyl-4-[ethyl(methyl)amino]-2-hydroxy-N-(5-hydroxy-2-methyl-4-propanoylphenyl)-5-methylbenzamide
SMILESCCC(=O)c1cc(C)c(N(CC)C(=O)c2cc(C)c(N(C)CC)cc2O)cc1O
InChIInChI=1S/C23H30N2O4/c1-7-20(26)16-10-15(5)19(13-21(16)27)25(9-3)23(29)17-11-14(4)18(12-22(17)28)24(6)8-2/h10-13,27-28H,7-9H2,1-6H3
InChIKeyFSHMOJCQNBJHFJ-UHFFFAOYSA-N
XLogP4.43
TPSA81.08 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.50
LogP ≤ 54.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-4-[ethyl(methyl)amino]-2-hydroxy-N-(5-hydroxy-2-methyl-4-propanoylphenyl)-5-methylbenzamide?
The IUPAC name of N-ethyl-4-[ethyl(methyl)amino]-2-hydroxy-N-(5-hydroxy-2-methyl-4-propanoylphenyl)-5-methylbenzamide (CID 166831097) is N-ethyl-4-[ethyl(methyl)amino]-2-hydroxy-N-(5-hydroxy-2-methyl-4-propanoylphenyl)-5-methylbenzamide.
What is the SMILES notation for N-ethyl-4-[ethyl(methyl)amino]-2-hydroxy-N-(5-hydroxy-2-methyl-4-propanoylphenyl)-5-methylbenzamide?
The canonical SMILES for N-ethyl-4-[ethyl(methyl)amino]-2-hydroxy-N-(5-hydroxy-2-methyl-4-propanoylphenyl)-5-methylbenzamide is CCC(=O)c1cc(C)c(N(CC)C(=O)c2cc(C)c(N(C)CC)cc2O)cc1O.
What is the InChIKey of N-ethyl-4-[ethyl(methyl)amino]-2-hydroxy-N-(5-hydroxy-2-methyl-4-propanoylphenyl)-5-methylbenzamide?
The InChIKey is FSHMOJCQNBJHFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30N2O4/c1-7-20(26)16-10-15(5)19(13-21(16)27)25(9-3)23(29)17-11-14(4)18(12-22(17)28)24(6)8-2/h10-13,27-28H,7-9H2,1-6H3.
What are the key properties of N-ethyl-4-[ethyl(methyl)amino]-2-hydroxy-N-(5-hydroxy-2-methyl-4-propanoylphenyl)-5-methylbenzamide?
N-ethyl-4-[ethyl(methyl)amino]-2-hydroxy-N-(5-hydroxy-2-methyl-4-propanoylphenyl)-5-methylbenzamide has a molecular weight of 398.50 g/mol, XLogP of 4.43, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-4-[ethyl(methyl)amino]-2-hydroxy-N-(5-hydroxy-2-methyl-4-propanoylphenyl)-5-methylbenzamide is sourced from PubChem (CID 166831097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).