N-[4-[6-(2-chloro-4-ethoxyphenoxy)-3-pyridinyl]-2-methylbut-3-enyl]acetamide

C20H23ClN2O3 — CID 123137188

IUPACN-[4-[6-(2-chloro-4-ethoxyphenoxy)-3-pyridinyl]-2-methylbut-3-enyl]acetamide
SMILESCCOc1ccc(Oc2ccc(C=CC(C)CNC(C)=O)cn2)c(Cl)c1
InChIInChI=1S/C20H23ClN2O3/c1-4-25-17-8-9-19(18(21)11-17)26-20-10-7-16(13-23-20)6-5-14(2)12-22-15(3)24/h5-11,13-14H,4,12H2,1-3H3,(H,22,24)
InChIKeyQBRVSQQIWNVFIP-UHFFFAOYSA-N
MW374.87 g/mol
LogP4.71
Rot. Bonds8

About N-[4-[6-(2-chloro-4-ethoxyphenoxy)-3-pyridinyl]-2-methylbut-3-enyl]acetamide

N-[4-[6-(2-chloro-4-ethoxyphenoxy)-3-pyridinyl]-2-methylbut-3-enyl]acetamide (PubChem CID 123137188) has the molecular formula C20H23ClN2O3 and a molecular weight of 374.87 g/mol. Its IUPAC name is N-[4-[6-(2-chloro-4-ethoxyphenoxy)-3-pyridinyl]-2-methylbut-3-enyl]acetamide.

Molecular Properties

Compound NameN-[4-[6-(2-chloro-4-ethoxyphenoxy)-3-pyridinyl]-2-methylbut-3-enyl]acetamide
PubChem CID123137188
Molecular FormulaC20H23ClN2O3
Molecular Weight374.87 g/mol
Exact Mass374.14
IUPAC NameN-[4-[6-(2-chloro-4-ethoxyphenoxy)-3-pyridinyl]-2-methylbut-3-enyl]acetamide
SMILESCCOc1ccc(Oc2ccc(C=CC(C)CNC(C)=O)cn2)c(Cl)c1
InChIInChI=1S/C20H23ClN2O3/c1-4-25-17-8-9-19(18(21)11-17)26-20-10-7-16(13-23-20)6-5-14(2)12-22-15(3)24/h5-11,13-14H,4,12H2,1-3H3,(H,22,24)
InChIKeyQBRVSQQIWNVFIP-UHFFFAOYSA-N
XLogP4.71
TPSA60.45 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.87
LogP ≤ 54.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(2S)-4-[6-(2-chloro-4-ethoxyphenoxy)-3-pyridinyl]but-3-en-2-yl]acetamide
CID 123684067
tert-butyl-[4-[6-(2-chloro-4-ethoxyphenoxy)-3-pyridinyl]-2-methylbut-3-enoxy]-dimethylsilane
CID 123573226
(E,4R)-6-[6-(2-chloro-4-pyridin-3-yloxyphenoxy)-3-pyridinyl]-4-methylhex-5-en-2-one
CID 158997888
ethyl 2-[4-[[5-[(E,3S)-3-acetamidobut-1-enyl]-2-pyridinyl]oxy]-3-chlorophenoxy]-1,3-thiazole-5-carboxylate
CID 118346079
(E,4R)-6-[6-(2-chloro-4,5-dimethylphenoxy)-3-pyridinyl]-4-methylhex-5-en-2-one
CID 158182135
N-[(2S)-4-[6-(2-chloro-5-methoxyphenoxy)-3-pyridinyl]but-3-en-2-yl]acetamide
CID 123244335
ethyl (E,4R)-6-[6-(2-chloro-4-propylphenoxy)-3-pyridinyl]-4-methyl-2-oxohex-5-enoate
CID 159081663
acetylene;N-[(E)-3-[6-(2,4-dichlorophenoxy)-3-pyridinyl]prop-2-enyl]acetamide;ethane
CID 144549677
(E,4R)-6-[6-[2-chloro-4-(2-methylpropylsulfonyl)phenoxy]-3-pyridinyl]-4-methylhex-5-en-2-one
CID 157334794
N-[(E,2S)-4-[6-(4-bromo-3-chlorophenoxy)-3-pyridinyl]but-3-en-2-yl]acetamide
CID 118344596
N-[4-[[5-[(E,3S)-3-acetamidobut-1-enyl]-2-pyridinyl]oxy]-3-chlorophenyl]-4-chlorobutanamide
CID 118345291
N-[(E,2S)-4-[6-[2-chloro-4-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)phenoxy]-3-pyridinyl]but-3-en-2-yl]acetamide
CID 118346103

Frequently Asked Questions

What is the IUPAC name of N-[4-[6-(2-chloro-4-ethoxyphenoxy)-3-pyridinyl]-2-methylbut-3-enyl]acetamide?
The IUPAC name of N-[4-[6-(2-chloro-4-ethoxyphenoxy)-3-pyridinyl]-2-methylbut-3-enyl]acetamide (CID 123137188) is N-[4-[6-(2-chloro-4-ethoxyphenoxy)-3-pyridinyl]-2-methylbut-3-enyl]acetamide.
What is the SMILES notation for N-[4-[6-(2-chloro-4-ethoxyphenoxy)-3-pyridinyl]-2-methylbut-3-enyl]acetamide?
The canonical SMILES for N-[4-[6-(2-chloro-4-ethoxyphenoxy)-3-pyridinyl]-2-methylbut-3-enyl]acetamide is CCOc1ccc(Oc2ccc(C=CC(C)CNC(C)=O)cn2)c(Cl)c1.
What is the InChIKey of N-[4-[6-(2-chloro-4-ethoxyphenoxy)-3-pyridinyl]-2-methylbut-3-enyl]acetamide?
The InChIKey is QBRVSQQIWNVFIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23ClN2O3/c1-4-25-17-8-9-19(18(21)11-17)26-20-10-7-16(13-23-20)6-5-14(2)12-22-15(3)24/h5-11,13-14H,4,12H2,1-3H3,(H,22,24).
What are the key properties of N-[4-[6-(2-chloro-4-ethoxyphenoxy)-3-pyridinyl]-2-methylbut-3-enyl]acetamide?
N-[4-[6-(2-chloro-4-ethoxyphenoxy)-3-pyridinyl]-2-methylbut-3-enyl]acetamide has a molecular weight of 374.87 g/mol, XLogP of 4.71, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[6-(2-chloro-4-ethoxyphenoxy)-3-pyridinyl]-2-methylbut-3-enyl]acetamide is sourced from PubChem (CID 123137188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).