2-[2-ethyl-3,5-dihydroxy-6-(4-propan-2-yloxybenzoyl)phenyl]-N-(2-hydroxyethyl)-N-(2-methoxyethyl)acetamide

C25H33NO7 — CID 23116316

IUPAC2-[2-ethyl-3,5-dihydroxy-6-(4-propan-2-yloxybenzoyl)phenyl]-N-(2-hydroxyethyl)-N-(2-methoxyethyl)acetamide
SMILESCCc1c(O)cc(O)c(C(=O)c2ccc(OC(C)C)cc2)c1CC(=O)N(CCO)CCOC
InChIInChI=1S/C25H33NO7/c1-5-19-20(14-23(30)26(10-12-27)11-13-32-4)24(22(29)15-21(19)28)25(31)17-6-8-18(9-7-17)33-16(2)3/h6-9,15-16,27-29H,5,10-14H2,1-4H3
InChIKeyHUBZNLYXHXGXQV-UHFFFAOYSA-N
MW459.54 g/mol
LogP2.69
Rot. Bonds12

About 2-[2-ethyl-3,5-dihydroxy-6-(4-propan-2-yloxybenzoyl)phenyl]-N-(2-hydroxyethyl)-N-(2-methoxyethyl)acetamide

2-[2-ethyl-3,5-dihydroxy-6-(4-propan-2-yloxybenzoyl)phenyl]-N-(2-hydroxyethyl)-N-(2-methoxyethyl)acetamide (PubChem CID 23116316) has the molecular formula C25H33NO7 and a molecular weight of 459.54 g/mol. Its IUPAC name is 2-[2-ethyl-3,5-dihydroxy-6-(4-propan-2-yloxybenzoyl)phenyl]-N-(2-hydroxyethyl)-N-(2-methoxyethyl)acetamide.

Molecular Properties

Compound Name2-[2-ethyl-3,5-dihydroxy-6-(4-propan-2-yloxybenzoyl)phenyl]-N-(2-hydroxyethyl)-N-(2-methoxyethyl)acetamide
PubChem CID23116316
Molecular FormulaC25H33NO7
Molecular Weight459.54 g/mol
Exact Mass459.23
IUPAC Name2-[2-ethyl-3,5-dihydroxy-6-(4-propan-2-yloxybenzoyl)phenyl]-N-(2-hydroxyethyl)-N-(2-methoxyethyl)acetamide
SMILESCCc1c(O)cc(O)c(C(=O)c2ccc(OC(C)C)cc2)c1CC(=O)N(CCO)CCOC
InChIInChI=1S/C25H33NO7/c1-5-19-20(14-23(30)26(10-12-27)11-13-32-4)24(22(29)15-21(19)28)25(31)17-6-8-18(9-7-17)33-16(2)3/h6-9,15-16,27-29H,5,10-14H2,1-4H3
InChIKeyHUBZNLYXHXGXQV-UHFFFAOYSA-N
XLogP2.69
TPSA116.53 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds12
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500459.54
LogP ≤ 52.69
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Related Compounds

N-ethoxy-2-[2-ethyl-3,5-dihydroxy-6-[4-(trifluoromethoxy)benzoyl]phenyl]-N-(2-methoxyethyl)acetamide
CID 175270384
2-[2-ethyl-3,5-dihydroxy-6-[3-methoxy-4-[2-(4-methylpiperazin-1-yl)-2-oxoethoxy]benzoyl]phenyl]-N,N-bis(2-methoxyethyl)acetamide
CID 11996697
2-[2-ethyl-6-[3-methoxy-4-(2-methoxyethoxy)benzoyl]-3,5-bis(prop-2-enoxy)phenyl]-N-(2-hydroxyethyl)-N-(2-methoxyethyl)acetamide
CID 23116290
methyl 2-(2-benzoyl-6-ethyl-3,5-dihydroxyphenyl)acetate
CID 11995674
2-(4-ethoxyphenoxy)-N-(2-hydroxyethyl)-N-(2-methoxyethyl)acetamide
CID 115902367
methyl 2-[2-ethyl-3,5-dihydroxy-6-[2-methoxyethyl(methyl)carbamoyl]phenyl]acetate
CID 11529918
N-(2-hydroxyethyl)-4-methoxy-N-(2-methoxyethyl)benzamide
CID 113339829
4-hydroxy-N-(2-hydroxyethyl)-N-(2-methoxyethyl)benzamide
CID 115902414
N-(2-methoxyethoxy)-4-propan-2-yloxybenzamide
CID 79676602
(4-propan-2-yloxyphenyl)-(2,4,6-trimethylphenyl)methanone
CID 43161494
N-(2-hydroxyethyl)-N-(2-methoxyethyl)-2-(3-methylphenoxy)propanamide
CID 115772456
2-[4-(difluoromethoxy)phenyl]-N,N-bis(2-hydroxyethyl)acetamide
CID 60682190

Frequently Asked Questions

What is the IUPAC name of 2-[2-ethyl-3,5-dihydroxy-6-(4-propan-2-yloxybenzoyl)phenyl]-N-(2-hydroxyethyl)-N-(2-methoxyethyl)acetamide?
The IUPAC name of 2-[2-ethyl-3,5-dihydroxy-6-(4-propan-2-yloxybenzoyl)phenyl]-N-(2-hydroxyethyl)-N-(2-methoxyethyl)acetamide (CID 23116316) is 2-[2-ethyl-3,5-dihydroxy-6-(4-propan-2-yloxybenzoyl)phenyl]-N-(2-hydroxyethyl)-N-(2-methoxyethyl)acetamide.
What is the SMILES notation for 2-[2-ethyl-3,5-dihydroxy-6-(4-propan-2-yloxybenzoyl)phenyl]-N-(2-hydroxyethyl)-N-(2-methoxyethyl)acetamide?
The canonical SMILES for 2-[2-ethyl-3,5-dihydroxy-6-(4-propan-2-yloxybenzoyl)phenyl]-N-(2-hydroxyethyl)-N-(2-methoxyethyl)acetamide is CCc1c(O)cc(O)c(C(=O)c2ccc(OC(C)C)cc2)c1CC(=O)N(CCO)CCOC.
What is the InChIKey of 2-[2-ethyl-3,5-dihydroxy-6-(4-propan-2-yloxybenzoyl)phenyl]-N-(2-hydroxyethyl)-N-(2-methoxyethyl)acetamide?
The InChIKey is HUBZNLYXHXGXQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H33NO7/c1-5-19-20(14-23(30)26(10-12-27)11-13-32-4)24(22(29)15-21(19)28)25(31)17-6-8-18(9-7-17)33-16(2)3/h6-9,15-16,27-29H,5,10-14H2,1-4H3.
What are the key properties of 2-[2-ethyl-3,5-dihydroxy-6-(4-propan-2-yloxybenzoyl)phenyl]-N-(2-hydroxyethyl)-N-(2-methoxyethyl)acetamide?
2-[2-ethyl-3,5-dihydroxy-6-(4-propan-2-yloxybenzoyl)phenyl]-N-(2-hydroxyethyl)-N-(2-methoxyethyl)acetamide has a molecular weight of 459.54 g/mol, XLogP of 2.69, 12 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-ethyl-3,5-dihydroxy-6-(4-propan-2-yloxybenzoyl)phenyl]-N-(2-hydroxyethyl)-N-(2-methoxyethyl)acetamide is sourced from PubChem (CID 23116316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).