N-(3-methoxyphenyl)-2-[[2-(2-methoxy-4-prop-2-enylphenoxy)acetyl]amino]benzamide

C26H26N2O5 — CID 47005052

IUPACN-(3-methoxyphenyl)-2-[[2-(2-methoxy-4-prop-2-enylphenoxy)acetyl]amino]benzamide
SMILESC=CCc1ccc(OCC(=O)Nc2ccccc2C(=O)Nc2cccc(OC)c2)c(OC)c1
InChIInChI=1S/C26H26N2O5/c1-4-8-18-13-14-23(24(15-18)32-3)33-17-25(29)28-22-12-6-5-11-21(22)26(30)27-19-9-7-10-20(16-19)31-2/h4-7,9-16H,1,8,17H2,2-3H3,(H,27,30)(H,28,29)
InChIKeyUVMHRZOBXJOCBR-UHFFFAOYSA-N
MW446.50 g/mol
LogP4.70
Rot. Bonds10

About N-(3-methoxyphenyl)-2-[[2-(2-methoxy-4-prop-2-enylphenoxy)acetyl]amino]benzamide

N-(3-methoxyphenyl)-2-[[2-(2-methoxy-4-prop-2-enylphenoxy)acetyl]amino]benzamide (PubChem CID 47005052) has the molecular formula C26H26N2O5 and a molecular weight of 446.50 g/mol. Its IUPAC name is N-(3-methoxyphenyl)-2-[[2-(2-methoxy-4-prop-2-enylphenoxy)acetyl]amino]benzamide.

Molecular Properties

Compound NameN-(3-methoxyphenyl)-2-[[2-(2-methoxy-4-prop-2-enylphenoxy)acetyl]amino]benzamide
PubChem CID47005052
Molecular FormulaC26H26N2O5
Molecular Weight446.50 g/mol
Exact Mass446.18
IUPAC NameN-(3-methoxyphenyl)-2-[[2-(2-methoxy-4-prop-2-enylphenoxy)acetyl]amino]benzamide
SMILESC=CCc1ccc(OCC(=O)Nc2ccccc2C(=O)Nc2cccc(OC)c2)c(OC)c1
InChIInChI=1S/C26H26N2O5/c1-4-8-18-13-14-23(24(15-18)32-3)33-17-25(29)28-22-12-6-5-11-21(22)26(30)27-19-9-7-10-20(16-19)31-2/h4-7,9-16H,1,8,17H2,2-3H3,(H,27,30)(H,28,29)
InChIKeyUVMHRZOBXJOCBR-UHFFFAOYSA-N
XLogP4.70
TPSA85.89 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.50
LogP ≤ 54.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-(2-acetylphenyl)-2-(2-methoxy-4-prop-2-enylphenoxy)acetamide
CID 18168528
N-(2-bromophenyl)-2-(2-methoxy-4-prop-2-enylphenoxy)acetamide
CID 26216414
2-(2-methoxy-4-prop-2-enylphenoxy)-N-(3-methylsulfanylphenyl)acetamide
CID 26086828
methyl 4,5-dimethoxy-2-[[2-(2-methoxy-4-prop-2-enylphenoxy)acetyl]amino]benzoate
CID 26176842
N-(3-ethynylphenyl)-2-(2-methoxy-4-prop-2-enylphenoxy)acetamide
CID 30779256
N-(3-methoxyphenyl)-2-(2-prop-2-enylphenoxy)acetamide
CID 1407018
N-(2-methoxy-5-methylphenyl)-2-(2-methoxy-4-prop-2-enylphenoxy)acetamide
CID 26216393
2,5-dimethoxy-N-[3-[[2-(2-methoxyphenoxy)acetyl]amino]phenyl]benzamide
CID 55886827
2-[[2-(4-chlorophenyl)acetyl]amino]-N-(3-methoxyphenyl)benzamide
CID 29263476
N-(4-ethoxyphenyl)-2-(2-methoxy-4-prop-2-enylphenoxy)acetamide
CID 26915649
2-(2-acetylphenoxy)-N-(3-methoxyphenyl)acetamide
CID 7859310
2-methoxy-N-[4-[2-(3-methoxyanilino)-2-oxoethoxy]phenyl]benzamide
CID 18224632

Frequently Asked Questions

What is the IUPAC name of N-(3-methoxyphenyl)-2-[[2-(2-methoxy-4-prop-2-enylphenoxy)acetyl]amino]benzamide?
The IUPAC name of N-(3-methoxyphenyl)-2-[[2-(2-methoxy-4-prop-2-enylphenoxy)acetyl]amino]benzamide (CID 47005052) is N-(3-methoxyphenyl)-2-[[2-(2-methoxy-4-prop-2-enylphenoxy)acetyl]amino]benzamide.
What is the SMILES notation for N-(3-methoxyphenyl)-2-[[2-(2-methoxy-4-prop-2-enylphenoxy)acetyl]amino]benzamide?
The canonical SMILES for N-(3-methoxyphenyl)-2-[[2-(2-methoxy-4-prop-2-enylphenoxy)acetyl]amino]benzamide is C=CCc1ccc(OCC(=O)Nc2ccccc2C(=O)Nc2cccc(OC)c2)c(OC)c1.
What is the InChIKey of N-(3-methoxyphenyl)-2-[[2-(2-methoxy-4-prop-2-enylphenoxy)acetyl]amino]benzamide?
The InChIKey is UVMHRZOBXJOCBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H26N2O5/c1-4-8-18-13-14-23(24(15-18)32-3)33-17-25(29)28-22-12-6-5-11-21(22)26(30)27-19-9-7-10-20(16-19)31-2/h4-7,9-16H,1,8,17H2,2-3H3,(H,27,30)(H,28,29).
What are the key properties of N-(3-methoxyphenyl)-2-[[2-(2-methoxy-4-prop-2-enylphenoxy)acetyl]amino]benzamide?
N-(3-methoxyphenyl)-2-[[2-(2-methoxy-4-prop-2-enylphenoxy)acetyl]amino]benzamide has a molecular weight of 446.50 g/mol, XLogP of 4.70, 10 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methoxyphenyl)-2-[[2-(2-methoxy-4-prop-2-enylphenoxy)acetyl]amino]benzamide is sourced from PubChem (CID 47005052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).