N-[2-(2,4-dichlorophenoxy)ethyl]-3-hydroxy-4-methylpent-2-enamide

C14H17Cl2NO3 — CID 71423229

IUPACN-[2-(2,4-dichlorophenoxy)ethyl]-3-hydroxy-4-methylpent-2-enamide
SMILESCC(C)C(O)=CC(=O)NCCOc1ccc(Cl)cc1Cl
InChIInChI=1S/C14H17Cl2NO3/c1-9(2)12(18)8-14(19)17-5-6-20-13-4-3-10(15)7-11(13)16/h3-4,7-9,18H,5-6H2,1-2H3,(H,17,19)
InChIKeyLSOJFZXLSBDKBF-UHFFFAOYSA-N
MW318.20 g/mol
LogP3.59
Rot. Bonds6

About N-[2-(2,4-dichlorophenoxy)ethyl]-3-hydroxy-4-methylpent-2-enamide

N-[2-(2,4-dichlorophenoxy)ethyl]-3-hydroxy-4-methylpent-2-enamide (PubChem CID 71423229) has the molecular formula C14H17Cl2NO3 and a molecular weight of 318.20 g/mol. Its IUPAC name is N-[2-(2,4-dichlorophenoxy)ethyl]-3-hydroxy-4-methylpent-2-enamide.

Molecular Properties

Compound NameN-[2-(2,4-dichlorophenoxy)ethyl]-3-hydroxy-4-methylpent-2-enamide
PubChem CID71423229
Molecular FormulaC14H17Cl2NO3
Molecular Weight318.20 g/mol
Exact Mass317.06
IUPAC NameN-[2-(2,4-dichlorophenoxy)ethyl]-3-hydroxy-4-methylpent-2-enamide
SMILESCC(C)C(O)=CC(=O)NCCOc1ccc(Cl)cc1Cl
InChIInChI=1S/C14H17Cl2NO3/c1-9(2)12(18)8-14(19)17-5-6-20-13-4-3-10(15)7-11(13)16/h3-4,7-9,18H,5-6H2,1-2H3,(H,17,19)
InChIKeyLSOJFZXLSBDKBF-UHFFFAOYSA-N
XLogP3.59
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.20
LogP ≤ 53.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

4-[2-(2,4-dichlorophenoxy)ethylamino]-4-oxobutanoic acid
CID 9156378
4-(2,4-dichlorophenoxy)-N-(3-methoxypropyl)butanamide
CID 2227549
4-amino-N-[3-(2,4-dichlorophenoxy)propyl]pentanamide;hydrochloride
CID 120561480
4-(2,4-dichlorophenoxy)-N-[4-[4-(2,4-dichlorophenoxy)butanoylamino]butyl]butanamide
CID 2841733
2-(2-chloro-4-methylphenoxy)ethylcarbamic acid
CID 146277340
N-[2-(2,4-dichlorophenoxy)ethyl]-3-methylbutan-2-amine
CID 60690280
4-(2,4-dichlorophenoxy)-N-[2-[4-(2,4-dichlorophenoxy)butanoylamino]propyl]butanamide
CID 3619651
2-amino-N-[3-(2,4-dichlorophenoxy)propyl]pentanamide
CID 119306648
N-(3-aminobutyl)-3-(2,4-dichlorophenoxy)propanamide;hydrochloride
CID 119498285
2-(2,4-dichlorophenoxy)-N-[2-(2-methoxyphenoxy)ethyl]acetamide
CID 26268404
2-[2-[[(E)-3-(2,4-dichlorophenyl)prop-2-enoyl]amino]ethoxy]propanoic acid
CID 110495196
1-N',5-N'-bis[4-(2,4-dichlorophenoxy)butanoyl]pentanedihydrazide
CID 3689924

Frequently Asked Questions

What is the IUPAC name of N-[2-(2,4-dichlorophenoxy)ethyl]-3-hydroxy-4-methylpent-2-enamide?
The IUPAC name of N-[2-(2,4-dichlorophenoxy)ethyl]-3-hydroxy-4-methylpent-2-enamide (CID 71423229) is N-[2-(2,4-dichlorophenoxy)ethyl]-3-hydroxy-4-methylpent-2-enamide.
What is the SMILES notation for N-[2-(2,4-dichlorophenoxy)ethyl]-3-hydroxy-4-methylpent-2-enamide?
The canonical SMILES for N-[2-(2,4-dichlorophenoxy)ethyl]-3-hydroxy-4-methylpent-2-enamide is CC(C)C(O)=CC(=O)NCCOc1ccc(Cl)cc1Cl.
What is the InChIKey of N-[2-(2,4-dichlorophenoxy)ethyl]-3-hydroxy-4-methylpent-2-enamide?
The InChIKey is LSOJFZXLSBDKBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17Cl2NO3/c1-9(2)12(18)8-14(19)17-5-6-20-13-4-3-10(15)7-11(13)16/h3-4,7-9,18H,5-6H2,1-2H3,(H,17,19).
What are the key properties of N-[2-(2,4-dichlorophenoxy)ethyl]-3-hydroxy-4-methylpent-2-enamide?
N-[2-(2,4-dichlorophenoxy)ethyl]-3-hydroxy-4-methylpent-2-enamide has a molecular weight of 318.20 g/mol, XLogP of 3.59, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2,4-dichlorophenoxy)ethyl]-3-hydroxy-4-methylpent-2-enamide is sourced from PubChem (CID 71423229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).