2-[ethyl-[2-(2-methoxy-4-prop-2-enylphenoxy)acetyl]amino]-N-(2-methoxyphenyl)acetamide

C23H28N2O5 — CID 38798639

IUPAC2-[ethyl-[2-(2-methoxy-4-prop-2-enylphenoxy)acetyl]amino]-N-(2-methoxyphenyl)acetamide
SMILESC=CCc1ccc(OCC(=O)N(CC)CC(=O)Nc2ccccc2OC)c(OC)c1
InChIInChI=1S/C23H28N2O5/c1-5-9-17-12-13-20(21(14-17)29-4)30-16-23(27)25(6-2)15-22(26)24-18-10-7-8-11-19(18)28-3/h5,7-8,10-14H,1,6,9,15-16H2,2-4H3,(H,24,26)
InChIKeyRNEQIYPUFCAULV-UHFFFAOYSA-N
MW412.49 g/mol
LogP3.30
Rot. Bonds11

About 2-[ethyl-[2-(2-methoxy-4-prop-2-enylphenoxy)acetyl]amino]-N-(2-methoxyphenyl)acetamide

2-[ethyl-[2-(2-methoxy-4-prop-2-enylphenoxy)acetyl]amino]-N-(2-methoxyphenyl)acetamide (PubChem CID 38798639) has the molecular formula C23H28N2O5 and a molecular weight of 412.49 g/mol. Its IUPAC name is 2-[ethyl-[2-(2-methoxy-4-prop-2-enylphenoxy)acetyl]amino]-N-(2-methoxyphenyl)acetamide.

Molecular Properties

Compound Name2-[ethyl-[2-(2-methoxy-4-prop-2-enylphenoxy)acetyl]amino]-N-(2-methoxyphenyl)acetamide
PubChem CID38798639
Molecular FormulaC23H28N2O5
Molecular Weight412.49 g/mol
Exact Mass412.20
IUPAC Name2-[ethyl-[2-(2-methoxy-4-prop-2-enylphenoxy)acetyl]amino]-N-(2-methoxyphenyl)acetamide
SMILESC=CCc1ccc(OCC(=O)N(CC)CC(=O)Nc2ccccc2OC)c(OC)c1
InChIInChI=1S/C23H28N2O5/c1-5-9-17-12-13-20(21(14-17)29-4)30-16-23(27)25(6-2)15-22(26)24-18-10-7-8-11-19(18)28-3/h5,7-8,10-14H,1,6,9,15-16H2,2-4H3,(H,24,26)
InChIKeyRNEQIYPUFCAULV-UHFFFAOYSA-N
XLogP3.30
TPSA77.10 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.49
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-(2-bromophenyl)-2-(2-methoxy-4-prop-2-enylphenoxy)acetamide
CID 26216414
N-(2-acetylphenyl)-2-(2-methoxy-4-prop-2-enylphenoxy)acetamide
CID 18168528
N-(2-methoxy-5-methylphenyl)-2-(2-methoxy-4-prop-2-enylphenoxy)acetamide
CID 26216393
N,N-diethyl-4-[[2-(2-methoxy-4-prop-2-enylphenoxy)acetyl]amino]benzamide
CID 8503813
2-[ethyl-[2-(2-methoxyphenoxy)acetyl]amino]-N-[2-(trifluoromethyl)phenyl]acetamide
CID 7958698
[2-(diethylamino)-2-oxoethyl] 3-methoxy-4-[2-(2-methoxyanilino)-2-oxoethoxy]benzoate
CID 25441337
N-ethyl-3-(4-ethylphenyl)-N-[2-(2-methoxyanilino)-2-oxoethyl]propanamide
CID 51184271
[2-[bis(prop-2-enyl)amino]-2-oxoethyl] 3-methoxy-4-[2-(2-methoxyanilino)-2-oxoethoxy]benzoate
CID 25441341
N-[2-(3,5-dimethylpyrazol-1-yl)phenyl]-2-(2-methoxy-4-prop-2-enylphenoxy)acetamide
CID 38760499
methyl 4,5-dimethoxy-2-[[2-(2-methoxy-4-prop-2-enylphenoxy)acetyl]amino]benzoate
CID 26176842
N-(3-methoxyphenyl)-2-[[2-(2-methoxy-4-prop-2-enylphenoxy)acetyl]amino]benzamide
CID 47005052
N-ethyl-N-[2-(2-methoxyanilino)-2-oxoethyl]-2-(5,6,7,8-tetrahydronaphthalen-2-yl)acetamide
CID 46563230

Frequently Asked Questions

What is the IUPAC name of 2-[ethyl-[2-(2-methoxy-4-prop-2-enylphenoxy)acetyl]amino]-N-(2-methoxyphenyl)acetamide?
The IUPAC name of 2-[ethyl-[2-(2-methoxy-4-prop-2-enylphenoxy)acetyl]amino]-N-(2-methoxyphenyl)acetamide (CID 38798639) is 2-[ethyl-[2-(2-methoxy-4-prop-2-enylphenoxy)acetyl]amino]-N-(2-methoxyphenyl)acetamide.
What is the SMILES notation for 2-[ethyl-[2-(2-methoxy-4-prop-2-enylphenoxy)acetyl]amino]-N-(2-methoxyphenyl)acetamide?
The canonical SMILES for 2-[ethyl-[2-(2-methoxy-4-prop-2-enylphenoxy)acetyl]amino]-N-(2-methoxyphenyl)acetamide is C=CCc1ccc(OCC(=O)N(CC)CC(=O)Nc2ccccc2OC)c(OC)c1.
What is the InChIKey of 2-[ethyl-[2-(2-methoxy-4-prop-2-enylphenoxy)acetyl]amino]-N-(2-methoxyphenyl)acetamide?
The InChIKey is RNEQIYPUFCAULV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N2O5/c1-5-9-17-12-13-20(21(14-17)29-4)30-16-23(27)25(6-2)15-22(26)24-18-10-7-8-11-19(18)28-3/h5,7-8,10-14H,1,6,9,15-16H2,2-4H3,(H,24,26).
What are the key properties of 2-[ethyl-[2-(2-methoxy-4-prop-2-enylphenoxy)acetyl]amino]-N-(2-methoxyphenyl)acetamide?
2-[ethyl-[2-(2-methoxy-4-prop-2-enylphenoxy)acetyl]amino]-N-(2-methoxyphenyl)acetamide has a molecular weight of 412.49 g/mol, XLogP of 3.30, 11 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[ethyl-[2-(2-methoxy-4-prop-2-enylphenoxy)acetyl]amino]-N-(2-methoxyphenyl)acetamide is sourced from PubChem (CID 38798639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).