methyl N-[4-[[[2-(2-methoxy-4-prop-1-enylphenoxy)acetyl]amino]methyl]phenyl]carbamate

C21H24N2O5 — CID 55732069

IUPACmethyl N-[4-[[[2-(2-methoxy-4-prop-1-enylphenoxy)acetyl]amino]methyl]phenyl]carbamate
SMILESCC=Cc1ccc(OCC(=O)NCc2ccc(NC(=O)OC)cc2)c(OC)c1
InChIInChI=1S/C21H24N2O5/c1-4-5-15-8-11-18(19(12-15)26-2)28-14-20(24)22-13-16-6-9-17(10-7-16)23-21(25)27-3/h4-12H,13-14H2,1-3H3,(H,22,24)(H,23,25)
InChIKeyYMFFKHQHKJANQJ-UHFFFAOYSA-N
MW384.43 g/mol
LogP3.60
Rot. Bonds8

About methyl N-[4-[[[2-(2-methoxy-4-prop-1-enylphenoxy)acetyl]amino]methyl]phenyl]carbamate

methyl N-[4-[[[2-(2-methoxy-4-prop-1-enylphenoxy)acetyl]amino]methyl]phenyl]carbamate (PubChem CID 55732069) has the molecular formula C21H24N2O5 and a molecular weight of 384.43 g/mol. Its IUPAC name is methyl N-[4-[[[2-(2-methoxy-4-prop-1-enylphenoxy)acetyl]amino]methyl]phenyl]carbamate.

Molecular Properties

Compound Namemethyl N-[4-[[[2-(2-methoxy-4-prop-1-enylphenoxy)acetyl]amino]methyl]phenyl]carbamate
PubChem CID55732069
Molecular FormulaC21H24N2O5
Molecular Weight384.43 g/mol
Exact Mass384.17
IUPAC Namemethyl N-[4-[[[2-(2-methoxy-4-prop-1-enylphenoxy)acetyl]amino]methyl]phenyl]carbamate
SMILESCC=Cc1ccc(OCC(=O)NCc2ccc(NC(=O)OC)cc2)c(OC)c1
InChIInChI=1S/C21H24N2O5/c1-4-5-15-8-11-18(19(12-15)26-2)28-14-20(24)22-13-16-6-9-17(10-7-16)23-21(25)27-3/h4-12H,13-14H2,1-3H3,(H,22,24)(H,23,25)
InChIKeyYMFFKHQHKJANQJ-UHFFFAOYSA-N
XLogP3.60
TPSA85.89 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.43
LogP ≤ 53.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze methyl N-[4-[[[2-(2-methoxy-4-prop-1-enylphenoxy)acetyl]amino]methyl]phenyl]carbamate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]-N-[(4-propan-2-yloxyphenyl)methyl]acetamide
CID 55588022
N-[[4-(diethylsulfamoyl)phenyl]methyl]-2-[2-methoxy-4-[(Z)-prop-1-enyl]phenoxy]acetamide
CID 97429002
N-[2-(4-fluorophenyl)ethyl]-2-[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]acetamide
CID 7478784
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
2-[[2-[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]acetyl]amino]acetamide
CID 9296003
[2-methoxy-4-[(E)-prop-1-enyl]phenyl] N-[4-[[4-[[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]carbonylamino]phenyl]methyl]phenyl]carbamate
CID 89121058
2-[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]-N-(4-sulfamoylphenyl)acetamide
CID 9314320
2-[4-[[2-[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]acetyl]amino]phenyl]-2-methylpropanoic acid
CID 119253969
N-(3,5-dimethoxyphenyl)-2-[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]acetamide
CID 7772741
[2-[4-(cyanomethyl)anilino]-2-oxoethyl] 2-[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]acetate
CID 7629390
[2-(4-chloroanilino)-2-oxoethyl] 2-[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]acetate
CID 7907929

Frequently Asked Questions

What is the IUPAC name of methyl N-[4-[[[2-(2-methoxy-4-prop-1-enylphenoxy)acetyl]amino]methyl]phenyl]carbamate?
The IUPAC name of methyl N-[4-[[[2-(2-methoxy-4-prop-1-enylphenoxy)acetyl]amino]methyl]phenyl]carbamate (CID 55732069) is methyl N-[4-[[[2-(2-methoxy-4-prop-1-enylphenoxy)acetyl]amino]methyl]phenyl]carbamate.
What is the SMILES notation for methyl N-[4-[[[2-(2-methoxy-4-prop-1-enylphenoxy)acetyl]amino]methyl]phenyl]carbamate?
The canonical SMILES for methyl N-[4-[[[2-(2-methoxy-4-prop-1-enylphenoxy)acetyl]amino]methyl]phenyl]carbamate is CC=Cc1ccc(OCC(=O)NCc2ccc(NC(=O)OC)cc2)c(OC)c1.
What is the InChIKey of methyl N-[4-[[[2-(2-methoxy-4-prop-1-enylphenoxy)acetyl]amino]methyl]phenyl]carbamate?
The InChIKey is YMFFKHQHKJANQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N2O5/c1-4-5-15-8-11-18(19(12-15)26-2)28-14-20(24)22-13-16-6-9-17(10-7-16)23-21(25)27-3/h4-12H,13-14H2,1-3H3,(H,22,24)(H,23,25).
What are the key properties of methyl N-[4-[[[2-(2-methoxy-4-prop-1-enylphenoxy)acetyl]amino]methyl]phenyl]carbamate?
methyl N-[4-[[[2-(2-methoxy-4-prop-1-enylphenoxy)acetyl]amino]methyl]phenyl]carbamate has a molecular weight of 384.43 g/mol, XLogP of 3.60, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-[4-[[[2-(2-methoxy-4-prop-1-enylphenoxy)acetyl]amino]methyl]phenyl]carbamate is sourced from PubChem (CID 55732069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).