2-[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]ethyl N-(2,6-dichlorophenyl)carbamate

C19H19Cl2NO4 — CID 6062530

IUPAC2-[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]ethyl N-(2,6-dichlorophenyl)carbamate
SMILESC/C=C/c1ccc(OCCOC(=O)Nc2c(Cl)cccc2Cl)c(OC)c1
InChIInChI=1S/C19H19Cl2NO4/c1-3-5-13-8-9-16(17(12-13)24-2)25-10-11-26-19(23)22-18-14(20)6-4-7-15(18)21/h3-9,12H,10-11H2,1-2H3,(H,22,23)/b5-3+
InChIKeyVKIJTBKMJUTLKN-HWKANZROSA-N
MW396.27 g/mol
LogP5.66
Rot. Bonds7

About 2-[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]ethyl N-(2,6-dichlorophenyl)carbamate

2-[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]ethyl N-(2,6-dichlorophenyl)carbamate (PubChem CID 6062530) has the molecular formula C19H19Cl2NO4 and a molecular weight of 396.27 g/mol. Its IUPAC name is 2-[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]ethyl N-(2,6-dichlorophenyl)carbamate.

Molecular Properties

Compound Name2-[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]ethyl N-(2,6-dichlorophenyl)carbamate
PubChem CID6062530
Molecular FormulaC19H19Cl2NO4
Molecular Weight396.27 g/mol
Exact Mass395.07
IUPAC Name2-[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]ethyl N-(2,6-dichlorophenyl)carbamate
SMILESC/C=C/c1ccc(OCCOC(=O)Nc2c(Cl)cccc2Cl)c(OC)c1
InChIInChI=1S/C19H19Cl2NO4/c1-3-5-13-8-9-16(17(12-13)24-2)25-10-11-26-19(23)22-18-14(20)6-4-7-15(18)21/h3-9,12H,10-11H2,1-2H3,(H,22,23)/b5-3+
InChIKeyVKIJTBKMJUTLKN-HWKANZROSA-N
XLogP5.66
TPSA56.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500396.27
LogP ≤ 55.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-[2-methoxy-4-[(Z)-prop-1-enyl]phenoxy]ethyl N-(2,6-dichlorophenyl)carbamate
CID 5357977
2-[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]ethanamine
CID 62582661
[2-(2-chloroanilino)-2-oxoethyl] 2-[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]acetate
CID 7907900
[2-(2,6-dichloroanilino)-2-oxoethyl] (E)-3-(4-ethoxy-3-methoxyphenyl)prop-2-enoate
CID 41121049
N-(5-chloro-2,4-dimethoxyphenyl)-2-[2-methoxy-4-[(Z)-prop-1-enyl]phenoxy]acetamide
CID 97426363
[2-methoxy-4-[(E)-prop-1-enyl]phenyl] N-(3-chlorophenyl)carbamate
CID 6032739
2-[[2-[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]acetyl]amino]acetamide
CID 9296003
N-(3-acetylphenyl)-2-(2-methoxy-4-prop-1-enylphenoxy)acetamide
CID 4879965
N-(2-chloro-4-fluorophenyl)-2-[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]acetamide
CID 26692807
[2-(4-chloroanilino)-2-oxoethyl] 2-[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]acetate
CID 7907929
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-[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]ethyl N-(2,6-dichlorophenyl)carbamate?
The IUPAC name of 2-[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]ethyl N-(2,6-dichlorophenyl)carbamate (CID 6062530) is 2-[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]ethyl N-(2,6-dichlorophenyl)carbamate.
What is the SMILES notation for 2-[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]ethyl N-(2,6-dichlorophenyl)carbamate?
The canonical SMILES for 2-[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]ethyl N-(2,6-dichlorophenyl)carbamate is C/C=C/c1ccc(OCCOC(=O)Nc2c(Cl)cccc2Cl)c(OC)c1.
What is the InChIKey of 2-[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]ethyl N-(2,6-dichlorophenyl)carbamate?
The InChIKey is VKIJTBKMJUTLKN-HWKANZROSA-N. The full InChI is InChI=1S/C19H19Cl2NO4/c1-3-5-13-8-9-16(17(12-13)24-2)25-10-11-26-19(23)22-18-14(20)6-4-7-15(18)21/h3-9,12H,10-11H2,1-2H3,(H,22,23)/b5-3+.
What are the key properties of 2-[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]ethyl N-(2,6-dichlorophenyl)carbamate?
2-[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]ethyl N-(2,6-dichlorophenyl)carbamate has a molecular weight of 396.27 g/mol, XLogP of 5.66, 7 rotatable bonds, 1 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]ethyl N-(2,6-dichlorophenyl)carbamate is sourced from PubChem (CID 6062530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).