2-[4-(4-aminobut-1-enyl)-2-chloro-6-methoxyphenoxy]acetamide

C13H17ClN2O3 — CID 76997374

IUPAC2-[4-(4-aminobut-1-enyl)-2-chloro-6-methoxyphenoxy]acetamide
SMILESCOc1cc(C=CCCN)cc(Cl)c1OCC(N)=O
InChIInChI=1S/C13H17ClN2O3/c1-18-11-7-9(4-2-3-5-15)6-10(14)13(11)19-8-12(16)17/h2,4,6-7H,3,5,8,15H2,1H3,(H2,16,17)
InChIKeyUEDQRHRQBPLNNG-UHFFFAOYSA-N
MW284.74 g/mol
LogP1.57
Rot. Bonds7

About 2-[4-(4-aminobut-1-enyl)-2-chloro-6-methoxyphenoxy]acetamide

2-[4-(4-aminobut-1-enyl)-2-chloro-6-methoxyphenoxy]acetamide (PubChem CID 76997374) has the molecular formula C13H17ClN2O3 and a molecular weight of 284.74 g/mol. Its IUPAC name is 2-[4-(4-aminobut-1-enyl)-2-chloro-6-methoxyphenoxy]acetamide.

Molecular Properties

Compound Name2-[4-(4-aminobut-1-enyl)-2-chloro-6-methoxyphenoxy]acetamide
PubChem CID76997374
Molecular FormulaC13H17ClN2O3
Molecular Weight284.74 g/mol
Exact Mass284.09
IUPAC Name2-[4-(4-aminobut-1-enyl)-2-chloro-6-methoxyphenoxy]acetamide
SMILESCOc1cc(C=CCCN)cc(Cl)c1OCC(N)=O
InChIInChI=1S/C13H17ClN2O3/c1-18-11-7-9(4-2-3-5-15)6-10(14)13(11)19-8-12(16)17/h2,4,6-7H,3,5,8,15H2,1H3,(H2,16,17)
InChIKeyUEDQRHRQBPLNNG-UHFFFAOYSA-N
XLogP1.57
TPSA87.57 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.74
LogP ≤ 51.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[2-chloro-4-(3-hydroxyprop-1-enyl)-6-methoxyphenoxy]acetamide
CID 79334777
4-(3-chloro-5-ethoxy-4-methoxyphenyl)but-3-en-1-amine
CID 76996980
2-[2-chloro-6-methoxy-4-[(E)-2-methyl-3-(methylamino)but-1-enyl]phenoxy]acetamide
CID 103092894
[2-methoxy-4-[(E)-3-methoxy-3-oxoprop-1-enyl]phenyl] 4-(2-amino-2-oxoethoxy)-3-chloro-5-methoxybenzoate
CID 24651976
2-(2-chloro-4-formyl-6-methoxyphenoxy)acetic acid
CID 957945
[4-(2-amino-2-oxoethoxy)-3-chloro-5-methoxyphenyl]methyl-methylazanium chloride
CID 44665968
3-(3-chloro-4-ethoxy-5-methoxyphenyl)prop-2-enoic acid
CID 3717954
N-[(E)-[4-(2-amino-2-oxoethoxy)-3-chloro-5-methoxyphenyl]methylideneamino]-4-bromobenzamide
CID 126271574
4-(2-amino-2-oxoethoxy)-N-(1-aminopropan-2-yl)-3-chloro-5-methoxy-N-methylbenzamide
CID 119584039
N-(2-amino-2-methylpropyl)-4-(2-amino-2-oxoethoxy)-3-chloro-5-methoxybenzamide;hydrochloride
CID 119629178
2-[2-chloro-4-[[1-(4-chlorophenyl)-3-methyl-5-oxopyrazol-4-ylidene]methyl]-6-methoxyphenoxy]acetamide
CID 1228883
prop-2-ynyl 4-(2-amino-2-oxoethoxy)-3-chloro-5-methoxybenzoate
CID 47139600

Frequently Asked Questions

What is the IUPAC name of 2-[4-(4-aminobut-1-enyl)-2-chloro-6-methoxyphenoxy]acetamide?
The IUPAC name of 2-[4-(4-aminobut-1-enyl)-2-chloro-6-methoxyphenoxy]acetamide (CID 76997374) is 2-[4-(4-aminobut-1-enyl)-2-chloro-6-methoxyphenoxy]acetamide.
What is the SMILES notation for 2-[4-(4-aminobut-1-enyl)-2-chloro-6-methoxyphenoxy]acetamide?
The canonical SMILES for 2-[4-(4-aminobut-1-enyl)-2-chloro-6-methoxyphenoxy]acetamide is COc1cc(C=CCCN)cc(Cl)c1OCC(N)=O.
What is the InChIKey of 2-[4-(4-aminobut-1-enyl)-2-chloro-6-methoxyphenoxy]acetamide?
The InChIKey is UEDQRHRQBPLNNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17ClN2O3/c1-18-11-7-9(4-2-3-5-15)6-10(14)13(11)19-8-12(16)17/h2,4,6-7H,3,5,8,15H2,1H3,(H2,16,17).
What are the key properties of 2-[4-(4-aminobut-1-enyl)-2-chloro-6-methoxyphenoxy]acetamide?
2-[4-(4-aminobut-1-enyl)-2-chloro-6-methoxyphenoxy]acetamide has a molecular weight of 284.74 g/mol, XLogP of 1.57, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(4-aminobut-1-enyl)-2-chloro-6-methoxyphenoxy]acetamide is sourced from PubChem (CID 76997374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).