2-[2-ethyl-6-[3-methoxy-4-(2-methoxyethoxy)benzoyl]-3,5-bis(prop-2-enoxy)phenyl]-N-(2-hydroxyethyl)-N-(2-methoxyethyl)acetamide

C32H43NO9 — CID 23116290

IUPAC2-[2-ethyl-6-[3-methoxy-4-(2-methoxyethoxy)benzoyl]-3,5-bis(prop-2-enoxy)phenyl]-N-(2-hydroxyethyl)-N-(2-methoxyethyl)acetamide
SMILESC=CCOc1cc(OCC=C)c(C(=O)c2ccc(OCCOC)c(OC)c2)c(CC(=O)N(CCO)CCOC)c1CC
InChIInChI=1S/C32H43NO9/c1-7-15-40-27-22-29(41-16-8-2)31(25(24(27)9-3)21-30(35)33(12-14-34)13-17-37-4)32(36)23-10-11-26(28(20-23)39-6)42-19-18-38-5/h7-8,10-11,20,22,34H,1-2,9,12-19,21H2,3-6H3
InChIKeyZCCBBFXYPJILQI-UHFFFAOYSA-N
MW585.69 g/mol
LogP3.65
Rot. Bonds21

About 2-[2-ethyl-6-[3-methoxy-4-(2-methoxyethoxy)benzoyl]-3,5-bis(prop-2-enoxy)phenyl]-N-(2-hydroxyethyl)-N-(2-methoxyethyl)acetamide

2-[2-ethyl-6-[3-methoxy-4-(2-methoxyethoxy)benzoyl]-3,5-bis(prop-2-enoxy)phenyl]-N-(2-hydroxyethyl)-N-(2-methoxyethyl)acetamide (PubChem CID 23116290) has the molecular formula C32H43NO9 and a molecular weight of 585.69 g/mol. Its IUPAC name is 2-[2-ethyl-6-[3-methoxy-4-(2-methoxyethoxy)benzoyl]-3,5-bis(prop-2-enoxy)phenyl]-N-(2-hydroxyethyl)-N-(2-methoxyethyl)acetamide.

Molecular Properties

Compound Name2-[2-ethyl-6-[3-methoxy-4-(2-methoxyethoxy)benzoyl]-3,5-bis(prop-2-enoxy)phenyl]-N-(2-hydroxyethyl)-N-(2-methoxyethyl)acetamide
PubChem CID23116290
Molecular FormulaC32H43NO9
Molecular Weight585.69 g/mol
Exact Mass585.29
IUPAC Name2-[2-ethyl-6-[3-methoxy-4-(2-methoxyethoxy)benzoyl]-3,5-bis(prop-2-enoxy)phenyl]-N-(2-hydroxyethyl)-N-(2-methoxyethyl)acetamide
SMILESC=CCOc1cc(OCC=C)c(C(=O)c2ccc(OCCOC)c(OC)c2)c(CC(=O)N(CCO)CCOC)c1CC
InChIInChI=1S/C32H43NO9/c1-7-15-40-27-22-29(41-16-8-2)31(25(24(27)9-3)21-30(35)33(12-14-34)13-17-37-4)32(36)23-10-11-26(28(20-23)39-6)42-19-18-38-5/h7-8,10-11,20,22,34H,1-2,9,12-19,21H2,3-6H3
InChIKeyZCCBBFXYPJILQI-UHFFFAOYSA-N
XLogP3.65
TPSA112.99 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds21
Heavy Atoms42
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500585.69
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

2-[2-ethyl-6-(4-methoxybenzoyl)-3,5-bis(prop-2-enoxy)phenyl]-N-(2-hydroxyethyl)-N-(2-morpholin-4-ylethyl)acetamide
CID 23116514
methyl 2-[2-ethyl-6-(4-methoxybenzoyl)-3,5-bis(prop-2-enoxy)phenyl]acetate
CID 87446533
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-[4-methoxy-3-(2-morpholin-4-ylethoxy)benzoyl]-3,5-bis(prop-2-enoxy)phenyl]acetic acid
CID 87447843
2-[2-ethyl-3,5-dihydroxy-6-(4-propan-2-yloxybenzoyl)phenyl]-N-(2-hydroxyethyl)-N-(2-methoxyethyl)acetamide
CID 23116316
N-(2-hydroxyethyl)-3-methoxy-N-(2-methoxyethyl)-4-methylbenzamide
CID 115772556
2-(2,4-dichlorophenoxy)-N-(2-hydroxyethyl)-N-(2-methoxyethyl)acetamide
CID 115772778
3-methoxy-N-(1-methoxypropan-2-yl)-4-prop-2-enoxybenzamide
CID 18161158
2-(3,4-dimethoxyphenyl)-N-(2-hydroxyethyl)-N-propylacetamide
CID 60655680
3-methoxy-N-(4-methylphenyl)-4-prop-2-enoxybenzamide
CID 27284512
3-(3,4-dimethoxyphenyl)-2-[2-ethyl-3,5-bis(prop-2-enoxy)phenyl]-3-oxopropanoic acid
CID 23116186
N-(2-hydroxyethyl)-N-(2-methoxyethyl)pent-4-enamide
CID 115772576

Frequently Asked Questions

What is the IUPAC name of 2-[2-ethyl-6-[3-methoxy-4-(2-methoxyethoxy)benzoyl]-3,5-bis(prop-2-enoxy)phenyl]-N-(2-hydroxyethyl)-N-(2-methoxyethyl)acetamide?
The IUPAC name of 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) is 2-[2-ethyl-6-[3-methoxy-4-(2-methoxyethoxy)benzoyl]-3,5-bis(prop-2-enoxy)phenyl]-N-(2-hydroxyethyl)-N-(2-methoxyethyl)acetamide.
What is the SMILES notation for 2-[2-ethyl-6-[3-methoxy-4-(2-methoxyethoxy)benzoyl]-3,5-bis(prop-2-enoxy)phenyl]-N-(2-hydroxyethyl)-N-(2-methoxyethyl)acetamide?
The canonical SMILES for 2-[2-ethyl-6-[3-methoxy-4-(2-methoxyethoxy)benzoyl]-3,5-bis(prop-2-enoxy)phenyl]-N-(2-hydroxyethyl)-N-(2-methoxyethyl)acetamide is C=CCOc1cc(OCC=C)c(C(=O)c2ccc(OCCOC)c(OC)c2)c(CC(=O)N(CCO)CCOC)c1CC.
What is the InChIKey of 2-[2-ethyl-6-[3-methoxy-4-(2-methoxyethoxy)benzoyl]-3,5-bis(prop-2-enoxy)phenyl]-N-(2-hydroxyethyl)-N-(2-methoxyethyl)acetamide?
The InChIKey is ZCCBBFXYPJILQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H43NO9/c1-7-15-40-27-22-29(41-16-8-2)31(25(24(27)9-3)21-30(35)33(12-14-34)13-17-37-4)32(36)23-10-11-26(28(20-23)39-6)42-19-18-38-5/h7-8,10-11,20,22,34H,1-2,9,12-19,21H2,3-6H3.
What are the key properties of 2-[2-ethyl-6-[3-methoxy-4-(2-methoxyethoxy)benzoyl]-3,5-bis(prop-2-enoxy)phenyl]-N-(2-hydroxyethyl)-N-(2-methoxyethyl)acetamide?
2-[2-ethyl-6-[3-methoxy-4-(2-methoxyethoxy)benzoyl]-3,5-bis(prop-2-enoxy)phenyl]-N-(2-hydroxyethyl)-N-(2-methoxyethyl)acetamide has a molecular weight of 585.69 g/mol, XLogP of 3.65, 21 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-ethyl-6-[3-methoxy-4-(2-methoxyethoxy)benzoyl]-3,5-bis(prop-2-enoxy)phenyl]-N-(2-hydroxyethyl)-N-(2-methoxyethyl)acetamide is sourced from PubChem (CID 23116290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).