N-[(E,2S)-4-[6-(4-propan-2-yloxyphenoxy)-3-pyridinyl]but-3-en-2-yl]acetamide

C20H24N2O3 — CID 118344356

IUPACN-[(E,2S)-4-[6-(4-propan-2-yloxyphenoxy)-3-pyridinyl]but-3-en-2-yl]acetamide
SMILESCC(=O)N[C@@H](C)/C=C/c1ccc(Oc2ccc(OC(C)C)cc2)nc1
InChIInChI=1S/C20H24N2O3/c1-14(2)24-18-8-10-19(11-9-18)25-20-12-7-17(13-21-20)6-5-15(3)22-16(4)23/h5-15H,1-4H3,(H,22,23)/b6-5+/t15-/m0/s1
InChIKeyZQDBHVUGQLSFBA-NFAHFFEMSA-N
MW340.42 g/mol
LogP4.20
Rot. Bonds7

About N-[(E,2S)-4-[6-(4-propan-2-yloxyphenoxy)-3-pyridinyl]but-3-en-2-yl]acetamide

N-[(E,2S)-4-[6-(4-propan-2-yloxyphenoxy)-3-pyridinyl]but-3-en-2-yl]acetamide (PubChem CID 118344356) has the molecular formula C20H24N2O3 and a molecular weight of 340.42 g/mol. Its IUPAC name is N-[(E,2S)-4-[6-(4-propan-2-yloxyphenoxy)-3-pyridinyl]but-3-en-2-yl]acetamide.

Molecular Properties

Compound NameN-[(E,2S)-4-[6-(4-propan-2-yloxyphenoxy)-3-pyridinyl]but-3-en-2-yl]acetamide
PubChem CID118344356
Molecular FormulaC20H24N2O3
Molecular Weight340.42 g/mol
Exact Mass340.18
IUPAC NameN-[(E,2S)-4-[6-(4-propan-2-yloxyphenoxy)-3-pyridinyl]but-3-en-2-yl]acetamide
SMILESCC(=O)N[C@@H](C)/C=C/c1ccc(Oc2ccc(OC(C)C)cc2)nc1
InChIInChI=1S/C20H24N2O3/c1-14(2)24-18-8-10-19(11-9-18)25-20-12-7-17(13-21-20)6-5-15(3)22-16(4)23/h5-15H,1-4H3,(H,22,23)/b6-5+/t15-/m0/s1
InChIKeyZQDBHVUGQLSFBA-NFAHFFEMSA-N
XLogP4.20
TPSA60.45 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.42
LogP ≤ 54.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(E,2S)-4-[6-(4-bromo-3-chlorophenoxy)-3-pyridinyl]but-3-en-2-yl]acetamide
CID 118344596
N-[(E,2S)-4-[6-[[6-(cyclopropylmethoxy)-3-pyridinyl]oxy]-3-pyridinyl]but-3-en-2-yl]acetamide
CID 118344359
N-[(2S)-4-[6-(3-chloro-5-methoxyphenoxy)-3-pyridinyl]but-3-en-2-yl]acetamide
CID 123452310
N-[(E,2S)-4-[6-(4-chloro-3-propylphenoxy)-3-pyridinyl]but-3-en-2-yl]acetamide
CID 118345832
N-[(E,2S)-4-[6-[2-(cyclopropylmethoxy)pyrimidin-5-yl]oxy-3-pyridinyl]but-3-en-2-yl]acetamide
CID 118345770
N-[(2S)-4-[6-(2-chloro-5-methoxyphenoxy)-3-pyridinyl]but-3-en-2-yl]acetamide
CID 123244335
N-[(2S)-4-[6-(2-chloro-4-ethoxyphenoxy)-3-pyridinyl]but-3-en-2-yl]acetamide
CID 123684067
N-[(E,3R)-1-[6-(3-ethoxy-5-fluorophenoxy)-3-pyridinyl]pent-1-en-4-yn-3-yl]acetamide
CID 144549854
ethyl 2-[4-[[5-[(E,3S)-3-acetamidobut-1-enyl]-2-pyridinyl]oxy]-3-chlorophenoxy]-1,3-thiazole-5-carboxylate
CID 118346079
N-[4-[[5-[(E,3S)-3-acetamidobut-1-enyl]-2-pyridinyl]oxy]-3-chlorophenyl]-4-chlorobutanamide
CID 118345291
N-[(E,2S)-4-[6-[[7-chloro-2-(trifluoromethyl)-1,3-benzothiazol-6-yl]oxy]-3-pyridinyl]but-3-en-2-yl]acetamide
CID 118346081
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-[(E,2S)-4-[6-(4-propan-2-yloxyphenoxy)-3-pyridinyl]but-3-en-2-yl]acetamide?
The IUPAC name of N-[(E,2S)-4-[6-(4-propan-2-yloxyphenoxy)-3-pyridinyl]but-3-en-2-yl]acetamide (CID 118344356) is N-[(E,2S)-4-[6-(4-propan-2-yloxyphenoxy)-3-pyridinyl]but-3-en-2-yl]acetamide.
What is the SMILES notation for N-[(E,2S)-4-[6-(4-propan-2-yloxyphenoxy)-3-pyridinyl]but-3-en-2-yl]acetamide?
The canonical SMILES for N-[(E,2S)-4-[6-(4-propan-2-yloxyphenoxy)-3-pyridinyl]but-3-en-2-yl]acetamide is CC(=O)N[C@@H](C)/C=C/c1ccc(Oc2ccc(OC(C)C)cc2)nc1.
What is the InChIKey of N-[(E,2S)-4-[6-(4-propan-2-yloxyphenoxy)-3-pyridinyl]but-3-en-2-yl]acetamide?
The InChIKey is ZQDBHVUGQLSFBA-NFAHFFEMSA-N. The full InChI is InChI=1S/C20H24N2O3/c1-14(2)24-18-8-10-19(11-9-18)25-20-12-7-17(13-21-20)6-5-15(3)22-16(4)23/h5-15H,1-4H3,(H,22,23)/b6-5+/t15-/m0/s1.
What are the key properties of N-[(E,2S)-4-[6-(4-propan-2-yloxyphenoxy)-3-pyridinyl]but-3-en-2-yl]acetamide?
N-[(E,2S)-4-[6-(4-propan-2-yloxyphenoxy)-3-pyridinyl]but-3-en-2-yl]acetamide has a molecular weight of 340.42 g/mol, XLogP of 4.20, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E,2S)-4-[6-(4-propan-2-yloxyphenoxy)-3-pyridinyl]but-3-en-2-yl]acetamide is sourced from PubChem (CID 118344356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).