2-[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]-N-[4-(phenylcarbamoylamino)phenyl]acetamide

C25H25N3O4 — CID 18279710

IUPAC2-[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]-N-[4-(phenylcarbamoylamino)phenyl]acetamide
SMILESC/C=C/c1ccc(OCC(=O)Nc2ccc(NC(=O)Nc3ccccc3)cc2)c(OC)c1
InChIInChI=1S/C25H25N3O4/c1-3-7-18-10-15-22(23(16-18)31-2)32-17-24(29)26-20-11-13-21(14-12-20)28-25(30)27-19-8-5-4-6-9-19/h3-16H,17H2,1-2H3,(H,26,29)(H2,27,28,30)/b7-3+
InChIKeyPMMYAUGEKQOETA-XVNBXDOJSA-N
MW431.49 g/mol
LogP5.39
Rot. Bonds8

About 2-[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]-N-[4-(phenylcarbamoylamino)phenyl]acetamide

2-[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]-N-[4-(phenylcarbamoylamino)phenyl]acetamide (PubChem CID 18279710) has the molecular formula C25H25N3O4 and a molecular weight of 431.49 g/mol. Its IUPAC name is 2-[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]-N-[4-(phenylcarbamoylamino)phenyl]acetamide.

Molecular Properties

Compound Name2-[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]-N-[4-(phenylcarbamoylamino)phenyl]acetamide
PubChem CID18279710
Molecular FormulaC25H25N3O4
Molecular Weight431.49 g/mol
Exact Mass431.18
IUPAC Name2-[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]-N-[4-(phenylcarbamoylamino)phenyl]acetamide
SMILESC/C=C/c1ccc(OCC(=O)Nc2ccc(NC(=O)Nc3ccccc3)cc2)c(OC)c1
InChIInChI=1S/C25H25N3O4/c1-3-7-18-10-15-22(23(16-18)31-2)32-17-24(29)26-20-11-13-21(14-12-20)28-25(30)27-19-8-5-4-6-9-19/h3-16H,17H2,1-2H3,(H,26,29)(H2,27,28,30)/b7-3+
InChIKeyPMMYAUGEKQOETA-XVNBXDOJSA-N
XLogP5.39
TPSA88.69 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500431.49
LogP ≤ 55.39
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-[4-[[2-[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]acetyl]amino]phenyl]-2-methylpropanoic acid
CID 119253969
N-(3-acetylphenyl)-2-(2-methoxy-4-prop-1-enylphenoxy)acetamide
CID 4879965
N-(3-hydroxy-4-methoxyphenyl)-2-[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]acetamide
CID 7478740
N-(3,5-dimethoxyphenyl)-2-[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]acetamide
CID 7772741
2-[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]-N-(4-sulfamoylphenyl)acetamide
CID 9314320
2-[2-methoxy-4-[(E)-3-(2-methoxyphenyl)-3-oxoprop-1-enyl]phenoxy]-N-phenylacetamide
CID 19567091
2-[2-methoxy-4-[(Z)-(phenylcarbamoylhydrazinylidene)methyl]phenoxy]-N-(4-methylphenyl)acetamide
CID 126014913
3-[4-[[2-(2-methoxy-4-prop-1-enylphenoxy)acetyl]amino]phenoxy]propanamide
CID 55727070
[2-(4-chloroanilino)-2-oxoethyl] 2-[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]acetate
CID 7907929
2-(5-formyl-2-methoxyphenoxy)-N-phenylacetamide
CID 7611771
[2-[4-(dimethylamino)anilino]-2-oxoethyl] 2-[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]acetate
CID 7999544
methyl N-[4-[[[2-(2-methoxy-4-prop-1-enylphenoxy)acetyl]amino]methyl]phenyl]carbamate
CID 55732069

Frequently Asked Questions

What is the IUPAC name of 2-[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]-N-[4-(phenylcarbamoylamino)phenyl]acetamide?
The IUPAC name of 2-[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]-N-[4-(phenylcarbamoylamino)phenyl]acetamide (CID 18279710) is 2-[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]-N-[4-(phenylcarbamoylamino)phenyl]acetamide.
What is the SMILES notation for 2-[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]-N-[4-(phenylcarbamoylamino)phenyl]acetamide?
The canonical SMILES for 2-[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]-N-[4-(phenylcarbamoylamino)phenyl]acetamide is C/C=C/c1ccc(OCC(=O)Nc2ccc(NC(=O)Nc3ccccc3)cc2)c(OC)c1.
What is the InChIKey of 2-[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]-N-[4-(phenylcarbamoylamino)phenyl]acetamide?
The InChIKey is PMMYAUGEKQOETA-XVNBXDOJSA-N. The full InChI is InChI=1S/C25H25N3O4/c1-3-7-18-10-15-22(23(16-18)31-2)32-17-24(29)26-20-11-13-21(14-12-20)28-25(30)27-19-8-5-4-6-9-19/h3-16H,17H2,1-2H3,(H,26,29)(H2,27,28,30)/b7-3+.
What are the key properties of 2-[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]-N-[4-(phenylcarbamoylamino)phenyl]acetamide?
2-[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]-N-[4-(phenylcarbamoylamino)phenyl]acetamide has a molecular weight of 431.49 g/mol, XLogP of 5.39, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]-N-[4-(phenylcarbamoylamino)phenyl]acetamide is sourced from PubChem (CID 18279710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).