N-[2-(3-chlorophenoxy)ethyl]-3-(3,5-dimethoxyphenyl)prop-2-enamide

C19H20ClNO4 — CID 55716988

IUPACN-[2-(3-chlorophenoxy)ethyl]-3-(3,5-dimethoxyphenyl)prop-2-enamide
SMILESCOc1cc(C=CC(=O)NCCOc2cccc(Cl)c2)cc(OC)c1
InChIInChI=1S/C19H20ClNO4/c1-23-17-10-14(11-18(13-17)24-2)6-7-19(22)21-8-9-25-16-5-3-4-15(20)12-16/h3-7,10-13H,8-9H2,1-2H3,(H,21,22)
InChIKeyUAJNIQMCUVAGEM-UHFFFAOYSA-N
MW361.83 g/mol
LogP3.57
Rot. Bonds8

About N-[2-(3-chlorophenoxy)ethyl]-3-(3,5-dimethoxyphenyl)prop-2-enamide

N-[2-(3-chlorophenoxy)ethyl]-3-(3,5-dimethoxyphenyl)prop-2-enamide (PubChem CID 55716988) has the molecular formula C19H20ClNO4 and a molecular weight of 361.83 g/mol. Its IUPAC name is N-[2-(3-chlorophenoxy)ethyl]-3-(3,5-dimethoxyphenyl)prop-2-enamide.

Molecular Properties

Compound NameN-[2-(3-chlorophenoxy)ethyl]-3-(3,5-dimethoxyphenyl)prop-2-enamide
PubChem CID55716988
Molecular FormulaC19H20ClNO4
Molecular Weight361.83 g/mol
Exact Mass361.11
IUPAC NameN-[2-(3-chlorophenoxy)ethyl]-3-(3,5-dimethoxyphenyl)prop-2-enamide
SMILESCOc1cc(C=CC(=O)NCCOc2cccc(Cl)c2)cc(OC)c1
InChIInChI=1S/C19H20ClNO4/c1-23-17-10-14(11-18(13-17)24-2)6-7-19(22)21-8-9-25-16-5-3-4-15(20)12-16/h3-7,10-13H,8-9H2,1-2H3,(H,21,22)
InChIKeyUAJNIQMCUVAGEM-UHFFFAOYSA-N
XLogP3.57
TPSA56.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.83
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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

(E)-N-[2-(3-methoxyphenoxy)ethyl]-3-pyridin-4-ylprop-2-enamide
CID 39620882
(E)-3-(3-methoxyphenyl)-N-[2-(4-methylphenoxy)ethyl]prop-2-enamide
CID 7761266
methyl N-[2-(3-chlorophenoxy)ethyl]carbamate
CID 14496172
(E)-3-(4-methoxyphenyl)-N-[3-(3-methylphenoxy)propyl]prop-2-enamide
CID 27039844
(E)-3-(3-chloro-4,5-dimethoxyphenyl)-N-[2-(3-fluorophenoxy)ethyl]prop-2-enamide
CID 35094492
(E)-3-(3-chloro-4-ethoxy-5-methoxyphenyl)-N-(2-phenoxyethyl)prop-2-enamide
CID 17495512
(E)-3-[4-(difluoromethoxy)-3-ethoxyphenyl]-N-[2-(3-methoxyphenoxy)ethyl]prop-2-enamide
CID 55587982
N-[2-(3-chlorophenoxy)ethyl]acetamide;ethane
CID 177170822
N-[2-(3-bromophenoxy)ethyl]-3-(4-ethoxy-3-methoxyphenyl)prop-2-enamide
CID 76867422
(E)-N-[(1R)-1-(3-chlorophenyl)ethyl]-3-(3,5-dimethoxyphenyl)prop-2-enamide
CID 9092725
3-(3-chlorophenyl)-N-[(2,4,6-trimethoxyphenyl)methyl]prop-2-enamide
CID 76884702
(E)-N-[(2-chlorophenyl)methyl]-3-(3,5-dimethoxyphenyl)prop-2-enamide
CID 9079335

Frequently Asked Questions

What is the IUPAC name of N-[2-(3-chlorophenoxy)ethyl]-3-(3,5-dimethoxyphenyl)prop-2-enamide?
The IUPAC name of N-[2-(3-chlorophenoxy)ethyl]-3-(3,5-dimethoxyphenyl)prop-2-enamide (CID 55716988) is N-[2-(3-chlorophenoxy)ethyl]-3-(3,5-dimethoxyphenyl)prop-2-enamide.
What is the SMILES notation for N-[2-(3-chlorophenoxy)ethyl]-3-(3,5-dimethoxyphenyl)prop-2-enamide?
The canonical SMILES for N-[2-(3-chlorophenoxy)ethyl]-3-(3,5-dimethoxyphenyl)prop-2-enamide is COc1cc(C=CC(=O)NCCOc2cccc(Cl)c2)cc(OC)c1.
What is the InChIKey of N-[2-(3-chlorophenoxy)ethyl]-3-(3,5-dimethoxyphenyl)prop-2-enamide?
The InChIKey is UAJNIQMCUVAGEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20ClNO4/c1-23-17-10-14(11-18(13-17)24-2)6-7-19(22)21-8-9-25-16-5-3-4-15(20)12-16/h3-7,10-13H,8-9H2,1-2H3,(H,21,22).
What are the key properties of N-[2-(3-chlorophenoxy)ethyl]-3-(3,5-dimethoxyphenyl)prop-2-enamide?
N-[2-(3-chlorophenoxy)ethyl]-3-(3,5-dimethoxyphenyl)prop-2-enamide has a molecular weight of 361.83 g/mol, XLogP of 3.57, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-chlorophenoxy)ethyl]-3-(3,5-dimethoxyphenyl)prop-2-enamide is sourced from PubChem (CID 55716988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).