N-[(E)-3-chloroprop-2-enyl]-N-[[3-(2-methoxyethoxy)phenyl]methyl]prop-2-enamide

C16H20ClNO3 — CID 167987364

IUPACN-[(E)-3-chloroprop-2-enyl]-N-[[3-(2-methoxyethoxy)phenyl]methyl]prop-2-enamide
SMILESC=CC(=O)N(C/C=C/Cl)Cc1cccc(OCCOC)c1
InChIInChI=1S/C16H20ClNO3/c1-3-16(19)18(9-5-8-17)13-14-6-4-7-15(12-14)21-11-10-20-2/h3-8,12H,1,9-11,13H2,2H3/b8-5+
InChIKeyIJWIZFOZXDXDLX-VMPITWQZSA-N
MW309.79 g/mol
LogP2.98
Rot. Bonds9

About N-[(E)-3-chloroprop-2-enyl]-N-[[3-(2-methoxyethoxy)phenyl]methyl]prop-2-enamide

N-[(E)-3-chloroprop-2-enyl]-N-[[3-(2-methoxyethoxy)phenyl]methyl]prop-2-enamide (PubChem CID 167987364) has the molecular formula C16H20ClNO3 and a molecular weight of 309.79 g/mol. Its IUPAC name is N-[(E)-3-chloroprop-2-enyl]-N-[[3-(2-methoxyethoxy)phenyl]methyl]prop-2-enamide.

Molecular Properties

Compound NameN-[(E)-3-chloroprop-2-enyl]-N-[[3-(2-methoxyethoxy)phenyl]methyl]prop-2-enamide
PubChem CID167987364
Molecular FormulaC16H20ClNO3
Molecular Weight309.79 g/mol
Exact Mass309.11
IUPAC NameN-[(E)-3-chloroprop-2-enyl]-N-[[3-(2-methoxyethoxy)phenyl]methyl]prop-2-enamide
SMILESC=CC(=O)N(C/C=C/Cl)Cc1cccc(OCCOC)c1
InChIInChI=1S/C16H20ClNO3/c1-3-16(19)18(9-5-8-17)13-14-6-4-7-15(12-14)21-11-10-20-2/h3-8,12H,1,9-11,13H2,2H3/b8-5+
InChIKeyIJWIZFOZXDXDLX-VMPITWQZSA-N
XLogP2.98
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.79
LogP ≤ 52.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

ethane;1-ethyl-3-(2-methoxyethoxy)benzene
CID 143725382
2-[3-(prop-2-enoyloxymethyl)phenoxy]ethyl prop-2-enoate
CID 118333634
N-[2-(3-chlorophenoxy)ethyl]-N-methylprop-2-enamide
CID 60953888
1-(2-methoxyethoxy)-3-(2-methylpropyl)benzene
CID 58531244
N-[(E)-3-cyanoprop-2-enyl]-2-methoxy-N-[(3-methoxyphenyl)methyl]acetamide
CID 102159051
N-[(E)-3-cyanoprop-2-enyl]-N-[(3-methoxyphenyl)methyl]acetamide
CID 102159050
5-[[3-(2-methoxyethoxy)phenyl]methylcarbamoyl]pyrazine-2-carboxylic acid
CID 120688954
N-(2-methoxyethyl)-N-[(3-methoxyphenyl)methyl]-2-methylpropanamide
CID 22954099
4-(2-methoxyethoxy)-N,N-bis(prop-2-enyl)benzamide
CID 17353510
N-[(3-ethoxyphenyl)methyl]-N-prop-2-enyl-2-pyridin-2-ylacetamide
CID 50956097
N-[[3-(2-methoxyethoxy)phenyl]methyl]-2-methylpropan-2-amine
CID 54847698
N-[(3-methoxyphenyl)methyl]-1-methyl-N-prop-2-enylazepane-2-carboxamide
CID 46996249

Frequently Asked Questions

What is the IUPAC name of N-[(E)-3-chloroprop-2-enyl]-N-[[3-(2-methoxyethoxy)phenyl]methyl]prop-2-enamide?
The IUPAC name of N-[(E)-3-chloroprop-2-enyl]-N-[[3-(2-methoxyethoxy)phenyl]methyl]prop-2-enamide (CID 167987364) is N-[(E)-3-chloroprop-2-enyl]-N-[[3-(2-methoxyethoxy)phenyl]methyl]prop-2-enamide.
What is the SMILES notation for N-[(E)-3-chloroprop-2-enyl]-N-[[3-(2-methoxyethoxy)phenyl]methyl]prop-2-enamide?
The canonical SMILES for N-[(E)-3-chloroprop-2-enyl]-N-[[3-(2-methoxyethoxy)phenyl]methyl]prop-2-enamide is C=CC(=O)N(C/C=C/Cl)Cc1cccc(OCCOC)c1.
What is the InChIKey of N-[(E)-3-chloroprop-2-enyl]-N-[[3-(2-methoxyethoxy)phenyl]methyl]prop-2-enamide?
The InChIKey is IJWIZFOZXDXDLX-VMPITWQZSA-N. The full InChI is InChI=1S/C16H20ClNO3/c1-3-16(19)18(9-5-8-17)13-14-6-4-7-15(12-14)21-11-10-20-2/h3-8,12H,1,9-11,13H2,2H3/b8-5+.
What are the key properties of N-[(E)-3-chloroprop-2-enyl]-N-[[3-(2-methoxyethoxy)phenyl]methyl]prop-2-enamide?
N-[(E)-3-chloroprop-2-enyl]-N-[[3-(2-methoxyethoxy)phenyl]methyl]prop-2-enamide has a molecular weight of 309.79 g/mol, XLogP of 2.98, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-3-chloroprop-2-enyl]-N-[[3-(2-methoxyethoxy)phenyl]methyl]prop-2-enamide is sourced from PubChem (CID 167987364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).