2-[2-ethyl-6-(4-methoxybenzoyl)-3,5-bis(prop-2-enoxy)phenyl]-N-(2-hydroxyethyl)-N-(2-morpholin-4-ylethyl)acetamide

C32H42N2O7 — CID 23116514

IUPAC2-[2-ethyl-6-(4-methoxybenzoyl)-3,5-bis(prop-2-enoxy)phenyl]-N-(2-hydroxyethyl)-N-(2-morpholin-4-ylethyl)acetamide
SMILESC=CCOc1cc(OCC=C)c(C(=O)c2ccc(OC)cc2)c(CC(=O)N(CCO)CCN2CCOCC2)c1CC
InChIInChI=1S/C32H42N2O7/c1-5-18-40-28-23-29(41-19-6-2)31(32(37)24-8-10-25(38-4)11-9-24)27(26(28)7-3)22-30(36)34(14-17-35)13-12-33-15-20-39-21-16-33/h5-6,8-11,23,35H,1-2,7,12-22H2,3-4H3
InChIKeyHNGWDPFLLLOLKR-UHFFFAOYSA-N
MW566.70 g/mol
LogP3.31
Rot. Bonds17

About 2-[2-ethyl-6-(4-methoxybenzoyl)-3,5-bis(prop-2-enoxy)phenyl]-N-(2-hydroxyethyl)-N-(2-morpholin-4-ylethyl)acetamide

2-[2-ethyl-6-(4-methoxybenzoyl)-3,5-bis(prop-2-enoxy)phenyl]-N-(2-hydroxyethyl)-N-(2-morpholin-4-ylethyl)acetamide (PubChem CID 23116514) has the molecular formula C32H42N2O7 and a molecular weight of 566.70 g/mol. Its IUPAC name is 2-[2-ethyl-6-(4-methoxybenzoyl)-3,5-bis(prop-2-enoxy)phenyl]-N-(2-hydroxyethyl)-N-(2-morpholin-4-ylethyl)acetamide.

Molecular Properties

Compound Name2-[2-ethyl-6-(4-methoxybenzoyl)-3,5-bis(prop-2-enoxy)phenyl]-N-(2-hydroxyethyl)-N-(2-morpholin-4-ylethyl)acetamide
PubChem CID23116514
Molecular FormulaC32H42N2O7
Molecular Weight566.70 g/mol
Exact Mass566.30
IUPAC Name2-[2-ethyl-6-(4-methoxybenzoyl)-3,5-bis(prop-2-enoxy)phenyl]-N-(2-hydroxyethyl)-N-(2-morpholin-4-ylethyl)acetamide
SMILESC=CCOc1cc(OCC=C)c(C(=O)c2ccc(OC)cc2)c(CC(=O)N(CCO)CCN2CCOCC2)c1CC
InChIInChI=1S/C32H42N2O7/c1-5-18-40-28-23-29(41-19-6-2)31(32(37)24-8-10-25(38-4)11-9-24)27(26(28)7-3)22-30(36)34(14-17-35)13-12-33-15-20-39-21-16-33/h5-6,8-11,23,35H,1-2,7,12-22H2,3-4H3
InChIKeyHNGWDPFLLLOLKR-UHFFFAOYSA-N
XLogP3.31
TPSA97.77 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds17
Heavy Atoms41
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500566.70
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Related Compounds

2-[2-ethyl-6-[4-methoxy-3-(2-morpholin-4-ylethoxy)benzoyl]-3,5-bis(prop-2-enoxy)phenyl]acetic acid
CID 87447843
methyl 2-[2-ethyl-6-(4-methoxybenzoyl)-3,5-bis(prop-2-enoxy)phenyl]acetate
CID 87446533
N-hexyl-2-(4-methoxyphenyl)-N-(2-morpholin-4-ylethyl)acetamide
CID 47798791
1-[(2,5-dimethoxyphenyl)methyl]-3,3-dimethyl-1-(2-morpholin-4-ylethyl)urea
CID 3837441
5-(2,4-dimethoxyphenyl)-4-[hydroxy-(4-prop-2-enoxyphenyl)methylidene]-1-(2-morpholin-4-ylethyl)pyrrolidine-2,3-dione
CID 3571852
(5S)-5-(2,4-dimethoxyphenyl)-4-[hydroxy-(4-prop-2-enoxyphenyl)methylidene]-1-(2-morpholin-4-ylethyl)pyrrolidine-2,3-dione
CID 28950376
(4E,5R)-5-(2,4-dimethoxyphenyl)-4-[hydroxy-(4-prop-2-enoxyphenyl)methylidene]-1-(2-morpholin-4-ylethyl)pyrrolidine-2,3-dione
CID 41059594
3-methoxy-N-(3-morpholin-4-ylpropyl)-4-prop-2-enoxy-N-(pyridin-4-ylmethyl)benzamide
CID 56536758
(4Z)-4-[hydroxy-(4-methoxyphenyl)methylidene]-1-(2-morpholin-4-ylethyl)-5-(4-prop-2-enoxyphenyl)pyrrolidine-2,3-dione
CID 23765617
(5R)-4-[hydroxy-(4-methoxyphenyl)methylidene]-1-(3-morpholin-4-ylpropyl)-5-(3-prop-2-enoxyphenyl)pyrrolidine-2,3-dione
CID 40839080
(4E,5R)-4-[hydroxy-(4-methoxyphenyl)methylidene]-1-(3-morpholin-4-ylpropyl)-5-(3-prop-2-enoxyphenyl)pyrrolidine-2,3-dione
CID 98191859
ethyl 4-[2-[(4-methoxybenzoyl)-(2-morpholin-4-ylethyl)amino]acetyl]-3,5-dimethyl-1H-pyrrole-2-carboxylate
CID 42672983

Frequently Asked Questions

What is the IUPAC name of 2-[2-ethyl-6-(4-methoxybenzoyl)-3,5-bis(prop-2-enoxy)phenyl]-N-(2-hydroxyethyl)-N-(2-morpholin-4-ylethyl)acetamide?
The IUPAC name of 2-[2-ethyl-6-(4-methoxybenzoyl)-3,5-bis(prop-2-enoxy)phenyl]-N-(2-hydroxyethyl)-N-(2-morpholin-4-ylethyl)acetamide (CID 23116514) is 2-[2-ethyl-6-(4-methoxybenzoyl)-3,5-bis(prop-2-enoxy)phenyl]-N-(2-hydroxyethyl)-N-(2-morpholin-4-ylethyl)acetamide.
What is the SMILES notation for 2-[2-ethyl-6-(4-methoxybenzoyl)-3,5-bis(prop-2-enoxy)phenyl]-N-(2-hydroxyethyl)-N-(2-morpholin-4-ylethyl)acetamide?
The canonical SMILES for 2-[2-ethyl-6-(4-methoxybenzoyl)-3,5-bis(prop-2-enoxy)phenyl]-N-(2-hydroxyethyl)-N-(2-morpholin-4-ylethyl)acetamide is C=CCOc1cc(OCC=C)c(C(=O)c2ccc(OC)cc2)c(CC(=O)N(CCO)CCN2CCOCC2)c1CC.
What is the InChIKey of 2-[2-ethyl-6-(4-methoxybenzoyl)-3,5-bis(prop-2-enoxy)phenyl]-N-(2-hydroxyethyl)-N-(2-morpholin-4-ylethyl)acetamide?
The InChIKey is HNGWDPFLLLOLKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H42N2O7/c1-5-18-40-28-23-29(41-19-6-2)31(32(37)24-8-10-25(38-4)11-9-24)27(26(28)7-3)22-30(36)34(14-17-35)13-12-33-15-20-39-21-16-33/h5-6,8-11,23,35H,1-2,7,12-22H2,3-4H3.
What are the key properties of 2-[2-ethyl-6-(4-methoxybenzoyl)-3,5-bis(prop-2-enoxy)phenyl]-N-(2-hydroxyethyl)-N-(2-morpholin-4-ylethyl)acetamide?
2-[2-ethyl-6-(4-methoxybenzoyl)-3,5-bis(prop-2-enoxy)phenyl]-N-(2-hydroxyethyl)-N-(2-morpholin-4-ylethyl)acetamide has a molecular weight of 566.70 g/mol, XLogP of 3.31, 17 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-ethyl-6-(4-methoxybenzoyl)-3,5-bis(prop-2-enoxy)phenyl]-N-(2-hydroxyethyl)-N-(2-morpholin-4-ylethyl)acetamide is sourced from PubChem (CID 23116514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).