2-[4-[[2-[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]acetyl]amino]phenyl]-2-methylpropanoic acid

C22H25NO5 — CID 119253969

IUPAC2-[4-[[2-[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]acetyl]amino]phenyl]-2-methylpropanoic acid
SMILESC/C=C/c1ccc(OCC(=O)Nc2ccc(C(C)(C)C(=O)O)cc2)c(OC)c1
InChIInChI=1S/C22H25NO5/c1-5-6-15-7-12-18(19(13-15)27-4)28-14-20(24)23-17-10-8-16(9-11-17)22(2,3)21(25)26/h5-13H,14H2,1-4H3,(H,23,24)(H,25,26)/b6-5+
InChIKeyYXMVWRMJQSCAMI-AATRIKPKSA-N
MW383.44 g/mol
LogP4.11
Rot. Bonds8

About 2-[4-[[2-[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]acetyl]amino]phenyl]-2-methylpropanoic acid

2-[4-[[2-[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]acetyl]amino]phenyl]-2-methylpropanoic acid (PubChem CID 119253969) has the molecular formula C22H25NO5 and a molecular weight of 383.44 g/mol. Its IUPAC name is 2-[4-[[2-[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]acetyl]amino]phenyl]-2-methylpropanoic acid.

Molecular Properties

Compound Name2-[4-[[2-[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]acetyl]amino]phenyl]-2-methylpropanoic acid
PubChem CID119253969
Molecular FormulaC22H25NO5
Molecular Weight383.44 g/mol
Exact Mass383.17
IUPAC Name2-[4-[[2-[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]acetyl]amino]phenyl]-2-methylpropanoic acid
SMILESC/C=C/c1ccc(OCC(=O)Nc2ccc(C(C)(C)C(=O)O)cc2)c(OC)c1
InChIInChI=1S/C22H25NO5/c1-5-6-15-7-12-18(19(13-15)27-4)28-14-20(24)23-17-10-8-16(9-11-17)22(2,3)21(25)26/h5-13H,14H2,1-4H3,(H,23,24)(H,25,26)/b6-5+
InChIKeyYXMVWRMJQSCAMI-AATRIKPKSA-N
XLogP4.11
TPSA84.86 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.44
LogP ≤ 54.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-[4-[[2-[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]acetyl]amino]phenyl]-2-methylpropanoic acid with MolForge

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Related Compounds

2-[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]-N-[4-(phenylcarbamoylamino)phenyl]acetamide
CID 18279710
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-[4-[[2-(4-cyano-2-methoxyphenoxy)acetyl]amino]phenyl]-2-methylpropanoic acid
CID 119253821
3-[4-[[2-(2-methoxy-4-prop-1-enylphenoxy)acetyl]amino]phenoxy]propanamide
CID 55727070
N-(3-acetylphenyl)-2-(2-methoxy-4-prop-1-enylphenoxy)acetamide
CID 4879965
3-[[2-[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]acetyl]amino]-2-methyl-2-phenylpropanoic acid
CID 120700681
[2-(4-chloroanilino)-2-oxoethyl] 2-[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]acetate
CID 7907929
[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
2-[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]-N-(2,4,6-trimethylphenyl)acetamide
CID 7695867

Frequently Asked Questions

What is the IUPAC name of 2-[4-[[2-[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]acetyl]amino]phenyl]-2-methylpropanoic acid?
The IUPAC name of 2-[4-[[2-[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]acetyl]amino]phenyl]-2-methylpropanoic acid (CID 119253969) is 2-[4-[[2-[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]acetyl]amino]phenyl]-2-methylpropanoic acid.
What is the SMILES notation for 2-[4-[[2-[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]acetyl]amino]phenyl]-2-methylpropanoic acid?
The canonical SMILES for 2-[4-[[2-[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]acetyl]amino]phenyl]-2-methylpropanoic acid is C/C=C/c1ccc(OCC(=O)Nc2ccc(C(C)(C)C(=O)O)cc2)c(OC)c1.
What is the InChIKey of 2-[4-[[2-[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]acetyl]amino]phenyl]-2-methylpropanoic acid?
The InChIKey is YXMVWRMJQSCAMI-AATRIKPKSA-N. The full InChI is InChI=1S/C22H25NO5/c1-5-6-15-7-12-18(19(13-15)27-4)28-14-20(24)23-17-10-8-16(9-11-17)22(2,3)21(25)26/h5-13H,14H2,1-4H3,(H,23,24)(H,25,26)/b6-5+.
What are the key properties of 2-[4-[[2-[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]acetyl]amino]phenyl]-2-methylpropanoic acid?
2-[4-[[2-[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]acetyl]amino]phenyl]-2-methylpropanoic acid has a molecular weight of 383.44 g/mol, XLogP of 4.11, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[[2-[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]acetyl]amino]phenyl]-2-methylpropanoic acid is sourced from PubChem (CID 119253969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).